%chk=000266839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266839

0 1
S 2.264272 -1.881348 0.410985
O 3.093804 -2.638791 -0.497299
O 2.243059 -2.163884 1.832738
O -5.291206 1.656881 0.094161
O -4.872061 0.614899 1.942640
N 0.625962 -2.105685 -0.103257
N -4.617341 0.910910 0.786857
C -0.452417 -2.021094 0.937430
C 0.146636 -1.446963 -1.359189
C -1.470773 -1.068022 0.368418
C -1.127995 -0.740364 -0.972463
C -2.604284 -0.542981 0.958192
C -1.918874 0.110483 -1.729235
C 2.593901 -0.201380 0.166717
C -3.400231 0.327105 0.179918
C -3.073793 0.651455 -1.141548
C 2.131771 0.749510 1.083459
C 3.364084 0.208023 -0.927630
C 2.407313 2.102673 0.893050
C 3.644314 1.559454 -1.126286
C 3.165469 2.518942 -0.216752
C 3.470065 3.965298 -0.410545
H -0.063912 -1.714951 1.934033
H -0.885759 -3.042944 1.065137
H -0.053645 -2.249366 -2.111997
H 0.893260 -0.759872 -1.807919
H -2.894036 -0.780290 1.986436
H -1.661634 0.358536 -2.757922
H -3.721747 1.327106 -1.712004
H 1.559655 0.434507 1.962281
H 3.758218 -0.538541 -1.628991
H 2.044002 2.837542 1.609750
H 4.244574 1.869062 -1.980183
H 3.803724 4.201407 -1.430422
H 2.600003 4.605003 -0.201904
H 4.273825 4.289483 0.270643


%chk=000266839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266839

0 1
S 2.224537 -2.011451 0.512681
O 3.368827 -2.715068 -0.396653
O 2.087608 -2.232423 2.123919
O -4.202340 2.553434 0.245807
O -4.112946 1.234864 2.104260
N 0.534178 -2.737627 -0.208071
N -3.751040 1.536535 0.901733
C -0.565375 -2.493895 0.791530
C 0.152261 -1.989357 -1.462247
C -1.295270 -1.252124 0.298571
C -0.866379 -0.948676 -1.021637
C -2.249510 -0.453624 0.946401
C -1.389961 0.158277 -1.717723
C 2.364044 -0.146230 0.203536
C -2.753664 0.661228 0.234947
C -2.344222 0.980402 -1.079687
C 1.790257 0.737534 1.133525
C 3.081205 0.279887 -0.926131
C 1.930858 2.121156 0.897582
C 3.206559 1.671534 -1.139218
C 2.633879 2.607968 -0.238650
C 2.797113 4.100149 -0.458816
H -0.129756 -2.416536 1.806983
H -1.217246 -3.390126 0.785160
H -0.299214 -2.729586 -2.152899
H 1.040263 -1.578189 -1.974985
H -2.605525 -0.653900 1.960586
H -1.061512 0.391324 -2.735729
H -2.773175 1.856823 -1.572099
H 1.277348 0.358986 2.023333
H 3.553059 -0.452222 -1.590182
H 1.495931 2.832629 1.608957
H 3.764539 2.031999 -2.010827
H 3.125285 4.327492 -1.487061
H 1.853316 4.642570 -0.271583
H 3.554270 4.518044 0.231985


