%chk=000236781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236781

0 1
S 0.001631 2.691714 -0.001238
O -0.179801 3.419322 -1.250789
O 0.184351 3.420248 1.247576
O -4.592921 -0.880786 0.820715
O 4.589926 -0.889550 -0.819851
O -5.947406 -3.331349 -0.985847
O 5.938053 -3.342486 0.988129
O -4.265216 -2.210668 -1.958321
O 4.258100 -2.217658 1.959681
C -1.355056 1.629877 0.191872
C 1.356424 1.627283 -0.193303
C -2.112016 1.256355 -0.921306
C 2.112436 1.253085 0.920280
C -1.707199 1.172739 1.470169
C 1.708036 1.168693 -1.471237
C -3.540315 -0.039192 0.500722
C 3.538710 -0.045959 -0.500582
C -3.214650 0.409097 -0.783143
C 3.213557 0.403725 0.782917
C -2.799266 0.329663 1.641991
C 2.798591 0.323519 -1.642264
C -5.603139 -1.155664 -0.161875
C 5.599030 -1.166275 0.163363
C -5.141484 -2.231623 -1.131977
C 5.134601 -2.240877 1.133643
H -1.848386 1.634577 -1.917108
H 1.849283 1.632418 1.915781
H -1.128320 1.492579 2.344923
H 1.129924 1.489039 -2.346317
H -3.767449 0.084210 -1.663130
H 3.765541 0.078392 1.663246
H -3.092117 -0.040405 2.622359
H 3.090999 -0.047719 -2.622323
H -5.906768 -0.240113 -0.705261
H -6.441498 -1.516585 0.479691
H 5.904356 -0.251167 0.706547
H 6.436921 -1.529238 -0.477666
H -5.703171 -4.079217 -1.599395
H 5.691908 -4.089603 1.601828


%chk=000236781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236781

0 1
S 0.001729 2.686075 -0.000944
O -0.256503 3.460883 -1.422917
O 0.261577 3.461272 1.420523
O -4.848845 -0.810256 1.006918
O 4.845276 -0.820626 -1.006525
O -6.136399 -2.728249 -1.859388
O 6.129193 -2.738324 1.861546
O -4.111283 -2.983157 -0.728842
O 4.102915 -2.989329 0.732201
C -1.487388 1.556783 0.269841
C 1.488522 1.553552 -0.270995
C -2.262994 1.201546 -0.842099
C 2.263365 1.197416 0.841188
C -1.804930 1.170926 1.584599
C 1.805332 1.166274 -1.585511
C -3.729560 -0.026947 0.674068
C 3.727556 -0.034860 -0.674207
C -3.401113 0.390427 -0.639937
C 3.399875 0.383915 0.639546
C -2.939672 0.365053 1.784386
C 2.938459 0.358003 -1.784781
C -5.750789 -1.231287 -0.047653
C 5.746549 -1.242416 0.048308
C -5.195075 -2.393674 -0.875863
C 5.188244 -2.402406 0.878118
H -1.997304 1.570105 -1.838330
H 1.998355 1.567071 1.837193
H -1.195438 1.518742 2.424757
H 1.196546 1.514793 -2.425889
H -4.002141 0.097111 -1.505221
H 4.000251 0.089858 1.505032
H -3.236254 0.034665 2.783591
H 3.234397 0.026406 -2.783775
H -6.036700 -0.399651 -0.720485
H -6.662101 -1.578354 0.466973
H 6.034564 -0.410622 0.720037
H 6.656928 -1.592243 -0.466106
H -5.810867 -3.504700 -2.390439
H 5.801924 -3.513371 2.393581


