%chk=000291438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291438

0 1
S -2.457317 2.338606 0.896027
O 3.389875 2.927506 -0.644960
O 1.243863 2.729406 -0.761978
O 5.424310 -2.693653 0.825782
O 6.253860 -0.734748 0.423515
N 0.067345 0.487330 -0.267182
N -0.987509 -0.387115 -0.155158
N 2.371629 2.270237 -0.560170
N 5.321479 -1.511414 0.542880
N -3.085647 4.988289 0.066101
C 1.347623 -0.008968 -0.069976
C 2.479352 0.860540 -0.205978
C -2.223637 0.001492 -0.314269
C -3.254133 -1.066849 -0.188540
C 1.580022 -1.381811 0.265809
C 3.780991 0.352202 0.001228
C 3.966122 -0.983087 0.328569
C 2.850451 -1.858948 0.461008
C -2.724691 1.378845 -0.626871
C -4.270635 -0.944457 0.771447
C -3.208013 -2.185713 -1.033093
C -5.243302 -1.941281 0.876335
C -4.188399 -3.176127 -0.922413
C -5.205275 -3.054885 0.029461
C -2.833374 3.903633 0.368369
H 0.715501 -2.049395 0.369072
H 4.649950 1.029077 -0.101571
H -0.067116 1.513195 -0.460639
H 3.034260 -2.910847 0.721021
H -3.801504 1.373553 -0.906423
H -2.199791 1.828844 -1.496135
H -4.300590 -0.083029 1.438609
H -2.409101 -2.285146 -1.767891
H -6.032955 -1.851412 1.622283
H -4.156313 -4.045692 -1.578653
H -5.967634 -3.829077 0.114281


%chk=000291438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291438

0 1
S -2.574275 2.320857 1.216699
O 3.323196 3.062965 -0.387124
O 1.066189 2.765153 -0.374068
O 5.624089 -2.732179 0.344178
O 6.394824 -0.588869 0.152954
N 0.065331 0.377435 -0.177406
N -0.968365 -0.529569 -0.132800
N 2.294945 2.297600 -0.309105
N 5.442384 -1.458992 0.207005
N -3.137117 5.038229 0.242741
C 1.373082 -0.066605 -0.085638
C 2.483579 0.853536 -0.142797
C -2.216491 -0.079667 -0.257407
C -3.303446 -1.086065 -0.169772
C 1.667408 -1.458434 0.069950
C 3.815422 0.395127 -0.047463
C 4.050683 -0.975618 0.105380
C 2.981322 -1.911424 0.165788
C -2.560731 1.371829 -0.491938
C -4.640781 -0.696726 0.124944
C -3.022573 -2.468873 -0.370408
C -5.665548 -1.662317 0.215139
C -4.048544 -3.428049 -0.285084
C -5.376452 -3.029892 0.007189
C -2.901316 3.923555 0.617382
H 0.824017 -2.149066 0.118486
H 4.644116 1.106335 -0.094221
H -0.037375 1.414043 -0.234103
H 3.212210 -2.972663 0.289172
H -3.561083 1.495050 -0.925033
H -1.825955 1.898818 -1.122619
H -4.885771 0.353219 0.320425
H -1.996659 -2.769069 -0.602103
H -6.687136 -1.347412 0.452527
H -3.818948 -4.485911 -0.451964
H -6.174534 -3.777252 0.070988


