%chk=000229198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229198

0 1
S -0.919621 2.598392 -0.343045
O -1.621200 3.662200 0.342768
O -0.519090 2.771412 -1.711254
O -5.018062 -2.467380 0.960247
O -3.597307 -3.490836 -0.311750
N 0.476613 2.371808 0.670686
N 1.246564 1.318470 0.263432
N -4.017065 -2.503160 0.265713
C -1.806864 1.112772 -0.169116
C -2.970955 1.103964 0.605980
C -1.358636 -0.047495 -0.803535
C 3.119659 -0.133189 0.223223
C 2.440976 1.088784 0.735552
C -3.243649 -1.236769 0.111478
C -3.702483 -0.077513 0.751354
C -2.080419 -1.239496 -0.665663
C 3.488072 -1.149175 1.118581
C 3.397792 -0.263480 -1.145059
C 3.195207 1.919821 1.726646
C 4.138601 -2.289517 0.641512
C 4.052083 -1.406794 -1.613142
C 4.423205 -2.418739 -0.722517
H -3.315536 2.023030 1.100048
H -0.439711 -0.037353 -1.405434
H 0.865674 3.133914 1.243623
H -4.617704 -0.105811 1.353031
H -1.743538 -2.161019 -1.153873
H 3.262007 -1.051157 2.178864
H 3.100548 0.523139 -1.838963
H 3.315309 2.956289 1.379693
H 4.210138 1.533018 1.903413
H 2.688681 1.944775 2.702272
H 4.423408 -3.080754 1.333575
H 4.271082 -1.508201 -2.675370
H 4.932122 -3.308351 -1.090069


%chk=000229198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229198

0 1
S -0.766810 2.298375 -0.563052
O -1.387958 3.710247 -0.037405
O -0.123346 2.095218 -2.043147
O -5.944567 -1.828705 1.043102
O -4.868816 -3.143089 -0.479700
N 0.519014 1.806274 0.874205
N 1.453243 0.940900 0.391186
N -4.990567 -2.058404 0.206537
C -2.059912 0.949435 -0.317141
C -3.102887 1.199162 0.589822
C -1.929654 -0.231706 -1.066028
C 3.563562 -0.191658 0.356631
C 2.641927 0.797855 0.967913
C -3.958384 -0.998818 0.021549
C -4.080615 0.198200 0.761267
C -2.906766 -1.233466 -0.890766
C 4.681398 -0.707969 1.068956
C 3.341637 -0.637394 -0.979729
C 3.015947 1.597128 2.203003
C 5.551799 -1.641363 0.464496
C 4.212831 -1.565085 -1.580187
C 5.324128 -2.072257 -0.861769
H -3.154861 2.152325 1.124902
H -1.102045 -0.352138 -1.771130
H 0.833022 2.742132 1.231283
H -4.922140 0.326143 1.446468
H -2.867311 -2.177689 -1.439351
H 4.868422 -0.403206 2.104116
H 2.485833 -0.232666 -1.529028
H 2.820180 2.678599 2.044954
H 4.079568 1.497467 2.459756
H 2.408198 1.286132 3.074520
H 6.404451 -2.032982 1.029906
H 4.034352 -1.889230 -2.611369
H 6.003028 -2.792168 -1.331869


