%chk=000117066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117066

0 1
S -3.543750 1.395309 -0.133536
O -2.409151 1.919529 -1.256075
O -4.798859 1.996119 -0.475424
O -2.924236 1.661535 1.145660
N 0.978556 0.537605 0.544699
C -0.316784 -0.031680 1.009753
C -1.072657 -0.697384 -0.154995
C -2.504250 -1.091161 0.236794
C 2.064509 -0.329855 0.300695
C 1.039777 1.931542 0.210555
C -3.580138 -0.310083 -0.519713
C 3.234520 0.161883 -0.342740
C 2.242993 2.372992 -0.507813
C 3.276370 1.549641 -0.765239
C 2.025996 -1.690349 0.708723
C 0.062084 2.795585 0.547349
C 4.324404 -0.703810 -0.560185
C 3.115453 -2.516214 0.481115
C 4.271318 -2.030591 -0.156925
H -0.940982 0.787092 1.465099
H -0.130184 -0.759345 1.830491
H -0.516189 -1.590863 -0.501753
H -1.070491 -0.017348 -1.035273
H -2.657023 -0.975562 1.332234
H -2.651095 -2.174264 0.039720
H -3.455583 -0.468930 -1.616235
H -4.580217 -0.749652 -0.312470
H 2.249401 3.419175 -0.815335
H 4.166968 1.892698 -1.293158
H 1.149160 -2.085703 1.217276
H -0.814463 2.537345 1.130411
H -1.674215 2.475395 -0.905358
H 0.119616 3.848199 0.337295
H 5.217837 -0.317741 -1.052468
H 3.080287 -3.558015 0.802032
H 5.114917 -2.694196 -0.327304


%chk=000117066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117066

0 1
S -3.511767 1.541091 -0.189600
O -2.105930 1.992159 -1.241176
O -4.852694 2.241854 -0.749596
O -3.105478 1.726135 1.383536
N 0.949691 0.513901 0.523677
C -0.317673 -0.087740 1.020285
C -1.070856 -0.854363 -0.105781
C -2.560137 -1.137584 0.256296
C 2.060470 -0.336300 0.292204
C 0.968565 1.891743 0.188522
C -3.587282 -0.364665 -0.573251
C 3.232441 0.182998 -0.359562
C 2.148391 2.372202 -0.522294
C 3.229284 1.568128 -0.782765
C 2.058985 -1.703003 0.692629
C -0.082345 2.780714 0.461048
C 4.352227 -0.662749 -0.581856
C 3.183643 -2.518698 0.464201
C 4.340048 -2.007452 -0.175864
H -0.966996 0.708463 1.409559
H -0.100863 -0.752662 1.875016
H -0.547747 -1.802316 -0.324731
H -1.022740 -0.244561 -1.026089
H -2.747503 -0.945711 1.330366
H -2.790127 -2.209220 0.091839
H -3.417489 -0.396005 -1.660901
H -4.632483 -0.612069 -0.323745
H 2.139060 3.423428 -0.822611
H 4.108472 1.964394 -1.302811
H 1.193074 -2.141289 1.193155
H -0.845935 2.598288 1.224393
H -1.301494 2.382213 -0.640717
H 0.099615 3.833963 0.224753
H 5.232900 -0.241086 -1.080638
H 3.156865 -3.564188 0.790303
H 5.207706 -2.651116 -0.349891


