-----------------------------------------------------------------------
          Psi4: An Open-Source Ab Initio Electronic Structure Package
                               Psi4 1.1 release

                         Git: Rev {} add49b9 


    R. M. Parrish, L. A. Burns, D. G. A. Smith, A. C. Simmonett,
    A. E. DePrince III, E. G. Hohenstein, U. Bozkaya, A. Yu. Sokolov,
    R. Di Remigio, R. M. Richard, J. F. Gonthier, A. M. James,
    H. R. McAlexander, A. Kumar, M. Saitow, X. Wang, B. P. Pritchard,
    P. Verma, H. F. Schaefer III, K. Patkowski, R. A. King, E. F. Valeev,
    F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill,
    J. Chem. Theory Comput. 13(7) pp 3185--3197 (2017).
    (doi: 10.1021/acs.jctc.7b00174)

    -----------------------------------------------------------------------


    Psi4 started on: Wednesday, 01 August 2018 09:28AM

    Process ID: 221598
    Host:       vega01.cac.cornell.edu
    PSIDATADIR: /home/fs01/bge6/psi4fc/psi4fc-install/share/psi4
    Memory:     500.0 MiB
    Threads:    2
    
  ==> Input File <==

--------------------------------------------------------------------------
molecule mol{
0 1
O         -1.500384972212   -0.043806579296    0.004812880470
H         -1.820382142212    0.859029460704   -0.016618089530
H         -0.540667862212    0.054375180704    0.000089620470
--
0 1
O          1.422682147788    0.038970470704   -0.004508899530
H          1.799303757788   -0.399409589296    0.761615480470
H          1.794946457788   -0.437242499296   -0.749911409530
symmetry c1
}

set {
basis         aug-cc-pVTZ
guess         sad
freeze_core   true
pcm           true
pcm_scf_type  total
}

pcm = {
   Units = Angstrom
   Medium {
   SolverType = IEFPCM
   Solvent = water
   }

   Cavity {
   RadiiSet = UFF
   Type = GePol
   Scaling = False
   Area = 0.3
   Mode = Implicit
   }
}
energy('mp2', bsse_type='cp')
--------------------------------------------------------------------------


   ===> N-Body Interaction Abacus <===
        BSSE Treatment:                     cp
        Number of 1-body computations:     2
        Number of 2-body computations:     1

   ==> N-Body: Now computing 1-body complexes <==


       N-Body: Computing complex (1/2) with fragments (2,) in the basis of fragments (1, 2).

    SCF Algorithm Type (re)set to DF.

*** tstart() called on vega01.cac.cornell.edu
*** at Wed Aug  1 09:28:11 2018

   => Loading Basis Set <=

    Name: AUG-CC-PVTZ
    Role: ORBITAL
    Keyword: BASIS
    atoms 1, 4     entry O          line   327 file /home/fs01/bge6/psi4fc/psi4fc-install/share/psi4/basis/aug-cc-pvtz.gbs 
    atoms 2-3, 5-6 entry H          line    36 file /home/fs01/bge6/psi4fc/psi4fc-install/share/psi4/basis/aug-cc-pvtz.gbs 


         ---------------------------------------------------------
                                   SCF
            by Justin Turney, Rob Parrish, Andy Simmonett
                             and Daniel Smith
                              RHF Reference
                        2 Threads,    500 MiB Core
         ---------------------------------------------------------

  ==> Geometry <==

    Molecular point group: c1
    Full point group: C1

    Geometry (in Angstrom), charge = 0, multiplicity = 1:

       Center              X                  Y                   Z               Mass       
    ------------   -----------------  -----------------  -----------------  -----------------
           O(Gh)     -1.500384972212    -0.043806579296     0.004812880470    15.994914619560
           H(Gh)     -1.820382142212     0.859029460704    -0.016618089530     1.007825032070
           H(Gh)     -0.540667862212     0.054375180704     0.000089620470     1.007825032070
           O          1.422682147788     0.038970470704    -0.004508899530    15.994914619560
           H          1.799303757788    -0.399409589296     0.761615480470     1.007825032070
           H          1.794946457788    -0.437242499296    -0.749911409530     1.007825032070

  Running in c1 symmetry.

  Rotational constants: A =      7.36449  B =      0.21156  C =      0.21152 [cm^-1]
  Rotational constants: A = 220781.85281  B =   6342.54766  C =   6341.35090 [MHz]
  Nuclear repulsion =    9.172591137143646

  Charge       = 0
  Multiplicity = 1
  Electrons    = 10
  Nalpha       = 5
  Nbeta        = 5

  ==> Algorithm <==

  SCF Algorithm Type is DF.
  DIIS enabled.
  MOM disabled.
  Fractional occupation disabled.
  Guess Type is SAD.
  Energy threshold   = 1.00e-08
  Density threshold  = 1.00e-08
  Integral threshold = 0.00e+00

  ==> Primary Basis <==

  Basis Set: AUG-CC-PVTZ
    Blend: AUG-CC-PVTZ
    Number of shells: 64
    Number of basis function: 184
    Number of Cartesian functions: 210
    Spherical Harmonics?: true
    Max angular momentum: 3

  **PSI4:PCMSOLVER Interface Active**