%chk=000242568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242568

0 1
S 0.649185 1.560591 -0.398245
O 1.066798 2.882768 0.030393
O 0.120534 1.403343 -1.739426
N -0.586399 1.098230 0.747551
N -3.363379 0.943076 -0.135214
C -1.569800 2.184956 1.019537
C -1.236566 -0.169476 0.500829
C -2.644080 2.247445 -0.084641
C -2.570348 -0.227123 -0.003494
C 1.919470 0.421724 -0.135398
C -0.558625 -1.354647 0.811690
C -3.154571 -1.484251 -0.256335
C -1.159506 -2.592183 0.567131
C -2.447513 -2.652385 0.026920
C 2.123727 -0.614934 -1.052731
C 2.755469 0.554039 0.977968
C 3.160996 -1.529417 -0.849587
C 3.792383 -0.361395 1.182015
C 3.993131 -1.402081 0.268391
H -1.037400 3.159633 1.118962
H -2.044132 1.977065 2.008123
H -3.393305 3.035841 0.148963
H -2.181960 2.511497 -1.065024
H -4.057506 0.904740 -0.883454
H 0.438724 -1.313066 1.250755
H -4.163081 -1.544491 -0.658511
H -0.623744 -3.508108 0.803161
H -2.908186 -3.619835 -0.170170
H 1.473596 -0.707991 -1.931522
H 2.605410 1.375352 1.686892
H 3.321685 -2.337329 -1.562122
H 4.444539 -0.260952 2.048474
H 4.803153 -2.115535 0.426920


%chk=000242568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242568

0 1
S 0.697587 1.322659 -0.586971
O 0.993097 2.919975 -0.279901
O 0.247458 0.837968 -2.096292
N -0.799155 0.688761 1.007267
N -3.476349 1.061489 -0.004009
C -1.526843 1.977829 1.177684
C -1.568340 -0.372137 0.527502
C -2.603274 2.244843 0.101376
C -2.937610 -0.208500 0.070707
C 2.281045 0.378621 -0.172594
C -1.008837 -1.689329 0.567009
C -3.704234 -1.365916 -0.254111
C -1.764501 -2.809775 0.208394
C -3.124038 -2.640967 -0.194057
C 2.543946 -0.803959 -0.884685
C 3.128296 0.896385 0.821173
C 3.730059 -1.509044 -0.572945
C 4.308920 0.176767 1.118889
C 4.604660 -1.022481 0.427497
H -0.780663 2.794731 1.158635
H -1.978114 1.945237 2.189878
H -3.212400 3.122727 0.380602
H -2.110815 2.459693 -0.869087
H -4.427613 1.172688 -0.355215
H 0.024223 -1.787933 0.918087
H -4.745394 -1.247718 -0.579238
H -1.325014 -3.811069 0.250065
H -3.723690 -3.517429 -0.464128
H 1.855860 -1.137451 -1.668695
H 2.883074 1.837839 1.322667
H 3.970123 -2.430719 -1.113644
H 4.995314 0.554695 1.884038
H 5.521921 -1.573377 0.662904


