%chk=000240893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240893

0 1
S 1.891677 -1.633903 -1.716899
N -2.899857 -1.022784 -0.456331
N -1.370452 -1.624190 -2.071315
N -1.304110 -0.453779 1.385296
N 1.047691 -0.860561 0.700829
N 0.504070 -0.155004 2.894666
C -4.685970 0.751828 -0.186418
C -4.192446 -0.678394 0.156831
C -1.641185 -0.872891 0.124047
C -5.028054 0.890687 -1.671585
C -3.670106 1.808622 0.248605
C -0.688659 -1.267326 -0.898652
C -2.670504 -1.467411 -1.801311
C 0.674391 -1.225270 -0.534090
C 3.492535 -1.396257 -0.887641
C 4.006023 0.026926 -1.069049
C 0.052566 -0.483885 1.619777
C 3.455158 0.972866 -0.033030
C 2.447885 1.889864 -0.368774
C 3.956398 0.945902 1.279148
C 1.946604 2.765461 0.598594
C 3.453025 1.824558 2.241032
C 2.446900 2.736194 1.903954
H -5.627093 0.903355 0.405353
H -4.086028 -0.773378 1.266457
H -4.948374 -1.430028 -0.163649
H -5.469349 1.872676 -1.881417
H -4.136039 0.805964 -2.304672
H -5.746162 0.133408 -2.000523
H -4.088452 2.817727 0.181134
H -3.337855 1.648971 1.282972
H -2.766634 1.786320 -0.373922
H -3.490035 -1.658442 -2.479172
H 4.178787 -2.132267 -1.352088
H 3.414722 -1.662346 0.188816
H 3.783257 0.397041 -2.093309
H 5.117435 0.024959 -1.009683
H 2.045937 1.912472 -1.380612
H 4.734265 0.235014 1.548901
H -0.136638 0.330729 3.506934
H 1.481884 0.102099 2.985130
H 1.163469 3.473358 0.332310
H 3.853232 1.806116 3.252857
H 2.062393 3.426197 2.650599


%chk=000240893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240893

0 1
S 2.018794 -1.512426 -1.764812
N -2.859664 -0.913608 -0.611324
N -1.269341 -1.221995 -2.250622
N -1.391984 -0.884351 1.379389
N 0.974743 -1.189569 0.775320
N 0.308720 -0.919238 3.001764
C -4.713481 0.729070 -0.003385
C -4.171476 -0.728541 0.037173
C -1.628438 -0.974981 0.045518
C -5.084907 1.181455 -1.434582
C -3.734674 1.721933 0.664420
C -0.652679 -1.164226 -0.985575
C -2.576999 -1.072072 -1.984411
C 0.691959 -1.263604 -0.543846
C 3.559584 -1.465140 -0.659061
C 4.335718 -0.126550 -0.749660
C -0.057137 -0.999231 1.676050
C 3.634121 1.039759 -0.069034
C 2.731815 1.868695 -0.782888
C 3.850043 1.302768 1.308493
C 2.052722 2.924948 -0.133709
C 3.176485 2.359418 1.960950
C 2.271419 3.173910 1.240763
H -5.646349 0.700453 0.599578
H -4.043975 -1.045039 1.087905
H -4.895327 -1.412142 -0.445517
H -5.558182 2.179979 -1.413880
H -4.186279 1.255770 -2.074621
H -5.795346 0.481002 -1.913953
H -4.188264 2.727663 0.732023
H -3.455470 1.392429 1.681071
H -2.802524 1.809942 0.076572
H -3.366772 -1.082462 -2.732432
H 4.180027 -2.307285 -1.008567
H 3.196340 -1.657365 0.364651
H 4.533588 0.106034 -1.812723
H 5.321682 -0.296157 -0.270424
H 2.555122 1.678205 -1.847686
H 4.555217 0.677044 1.871189
H -0.405476 -0.753420 3.704510
H 1.296102 -0.932912 3.239294
H 1.356593 3.553588 -0.700824
H 3.362198 2.553884 3.023935
H 1.748053 3.995561 1.743071


