%chk=000126979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126979

0 1
 S    2.630400      -1.066400      0.7262000    
 O    2.117700       3.351300     -0.6283000    
 O    7.302900     -0.5867000      0.7323000    
 O    5.277000       3.384600     -0.3272000    
 O   -1.183400      0.4265000       1.924200    
 O    5.442900       2.122200      -2.226900    
 O   -4.086800     -6.4000003E-02  -2.035800    
 O    9.178900     -0.9307000     -0.5714000    
 O   -6.804000      0.4278000      -2.045400    
 O   -7.589200      0.8379000       1.400300    
 N    3.249100       1.466500      0.2252000    
 N   0.2570000      0.7877000      0.1421000    
 N   -3.202000     -0.1125000      0.1109000    
 N   -5.456500      0.2839000     -0.1766000    
 C    2.594100      0.6650000       1.243000    
 C    1.311600       1.455800      0.9038000    
 C    2.241700       2.344900      2.9800000E-02
 C    4.501000       1.220500     -0.2394000    
 C    5.123600      4.1000001E-02 -4.0000002E-03
 C    4.454000      -1.136400      0.7012000    
 C  -0.9214000      0.3218000      0.7274000    
 C    6.541100     -0.2771000     -0.4155000    
 C    5.124000       2.266700      -1.063900    
 C   -1.836300     -0.3810000     -0.2672000    
 C   -1.552600      -1.863200     -0.3410000    
 C   -2.225800      -2.745300      0.5044000    
 C  -0.6170000      -2.349600      -1.254200    
 C   -4.233300      2.7799999E-02 -0.8181000    
 C    8.621200     -0.8994000      0.5172000    
 C   -1.963400      -4.113600      0.4363000    
 C  -0.3549000      -3.717900      -1.322300    
 C   -1.027900      -4.599800     -0.4770000    
 C    9.301300      -1.203000       1.817700    
 C   -6.687800      0.4724000     -0.8198000    
 C   -7.823800      0.7710000      6.3600004E-02
 C   -9.151300       1.010100     -0.2065000    
 C   -9.772100       1.238500       1.044700    
 C   -8.780000       1.122900       1.990200    
 H    2.979900      0.8563000       2.251400    
 H   0.9090000       2.014200       1.758200    
 H   0.3841000      0.6339000     -0.8555000    
 H    4.715800      -2.071300      0.1944000    
 H    4.816500      -1.201400       1.732800    
 H    7.018200      0.5601000     -0.9340000    
 H    6.533600      -1.134100      -1.100600    
 H   -1.687700      5.9099998E-02  -1.261700    
 H   -3.430400     -3.8199998E-02   1.098100    
 H    5.690800       4.111200     -0.8402000    
 H   -2.948400      -2.396900       1.236800    
 H  -8.5400000E-02  -1.673600      -1.918500    
 H   -2.484700      -4.800400       1.096900    
 H   0.3741000      -4.096400      -2.032800    
 H  -0.8228000      -5.665000     -0.5291000    
 H    9.263700     -0.3258000       2.468300    
 H    10.34910      -1.453800       1.629800    
 H    8.818600      -2.058700       2.296500    
 H   -5.439200      0.3438000      0.8382000    
 H   -9.617700       1.019600      -1.181300    
 H   -10.81260       1.459600       1.233700    
 H   -8.759000       1.209900       3.066600    


%chk=000126979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126979

0 1
S 2.752080 -0.856203 0.619961
O 2.518685 2.600968 -2.264271
O 7.455533 -0.385886 1.460687
O 5.148418 3.604746 -1.142370
O -1.280251 1.718878 0.780880
O 6.771433 2.084261 -1.814612
O -4.495189 -0.405539 -2.049656
O 7.428291 -2.695796 1.097531
O -7.324431 0.391320 -1.595926
O -7.361251 0.181933 2.052249
N 3.533049 1.661662 -0.240777
N 0.350395 0.817516 -0.613571
N -3.255443 0.220970 -0.174082
N -5.580086 0.146143 0.000985
C 2.599198 1.026825 0.714070
C 1.406209 1.657787 -0.101200
C 2.504466 2.113838 -1.126722
C 4.902640 1.357011 -0.393800
C 5.435055 0.218244 0.178611
C 4.615844 -0.775294 0.989875
C -0.947384 0.927271 -0.154458
C 6.899470 -0.145380 0.083128
C 5.710810 2.331119 -1.190934
C -1.982698 0.035205 -0.880368
C -1.543849 -1.432775 -0.981461
C -1.046699 -2.126556 0.151707
C -1.661666 -2.114291 -2.216663
C -4.446130 -0.031217 -0.849862
C 7.731875 -1.716900 1.816608
C -0.666972 -3.481338 0.047135
C -1.280286 -3.471137 -2.321984
C -0.781026 -4.156685 -1.191511
C 8.445568 -1.766369 3.147642
C -6.923102 0.281005 -0.408011
C -7.871804 0.304419 0.730738
C -9.252238 0.432410 0.783867
C -9.633709 0.388822 2.175928
C -8.469151 0.237922 2.913050
H 2.726113 1.351777 1.757345
H 0.939251 2.493281 0.447541
H 0.568323 0.101567 -1.312225
H 4.992182 -1.797141 0.809043
H 4.724689 -0.569238 2.069941
H 7.515843 0.652397 -0.348207
H 7.026949 -1.077338 -0.500745
H -2.097771 0.420840 -1.916210
H -3.205699 0.838192 0.647381
H 5.654659 4.213605 -1.744722
H -0.957014 -1.608852 1.114996
H -2.085404 -1.590296 -3.080519
H -0.280312 -4.009741 0.925531
H -1.382149 -3.992547 -3.279867
H -0.485785 -5.208758 -1.272568
H 9.513394 -1.523131 2.998595
H 8.371200 -2.777554 3.573561
H 8.030809 -1.020027 3.843820
H -5.420088 0.116940 1.013268
H -9.899471 0.542255 -0.083058
H -10.641737 0.460021 2.578888
H -8.248137 0.157137 3.973798


