memory 50GB
molecule dimer {
0 1
    N           -4.912476052773    -0.240906048411    -0.454102977275
    C           -3.558066814471    -0.468960834620    -0.352199435403
    C           -3.002370112563     0.805312698462    -0.179794526071
    N           -3.977513871134     1.789322746060    -0.175198888759
    C           -5.098258658319     1.124366688043    -0.340941710258
    C           -1.592759479874     0.863483346206    -0.046948759304
    N           -0.918397912501    -0.310149202713    -0.097741427891
    C           -1.591620699450    -1.467059749712    -0.269211453889
    N           -2.906429694590    -1.643752925003    -0.405368214674
    H            0.110363162857     2.004505274361     0.205319340699
    N           -0.913812304897     2.008795681429     0.124196344025
    H           -5.622486929790    -0.950303919327    -0.586469281699
    H           -6.090999499579     1.568401075694    -0.389512121692
    H           -1.434724200397     2.874605694705     0.152741228754
    H           -0.955641163552    -2.358051919702    -0.296719887214
    C            4.018105805762     0.579709545714     0.385699215928
    C            4.544449463700    -0.668375484144     0.320109508135
    N            3.761175140822    -1.789730625330     0.160794859099
    C            2.371523272523    -1.746759412429     0.052025936964
    N            1.851785242357    -0.470921056997     0.122656200879
    C            2.560590188573     0.709171466581     0.281433783193
    O            1.697343166563    -2.754409135170    -0.091296586218
    C            4.823939331413     1.832467103084     0.556699474749
    O            1.978044200947     1.799005004820     0.330229143049
    H            5.618449846571    -0.852398626466     0.390192807241
    H            4.169655481035    -2.715386973400     0.112146826484
    H            0.798402993760    -0.401716522356     0.042371721525
    H            5.900483012221     1.615992059111     0.625618906388
    H            4.653733764299     2.521737631920    -0.286469438029
    H            4.511650205357     2.374300651591     1.464317556683
units angstrom
}
set {
    basis aug-cc-pVDZ
    scf_type df
    maxiter 500 
    step_type nr
}
energy('ccsd')