%chk=000122461.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122461

0 1
 S   -2.936400      -3.757800      0.9747000    
 O   -2.942600      -4.025800       2.450600    
 O   -1.205900      -1.341700      -2.376900    
 O   -3.253800      0.6583000     -0.4098000    
 O   -5.419600      1.7600000E-02 -0.8950000    
 O    1.882600      -2.120900      -1.852700    
 O    4.124400      -1.009100     -0.8500000    
 O    1.682200       5.003900       1.517000    
 O    1.146600       6.292400     -0.1777000    
 N   -2.284000      -1.520400     -0.2865000    
 N   0.7690000      -1.987600      0.1828000    
 N   0.9275000       5.300800      0.5594000    
 C   -1.665400      -2.391400      0.7196000    
 C   -4.301200      -2.490400      0.6019000    
 C   -3.706200      -1.630100     -0.5347000    
 C  -0.4949000      -2.572600     -0.2591000    
 C   -1.302100      -1.679400      -1.219000    
 C   -5.538500      -3.260300      0.1335000    
 C   -4.622600      -1.704400       1.882400    
 C   -4.251500     -0.2421000     -0.6398000    
 C    1.863200      -1.810300     -0.6647000    
 C    3.044900      -1.183700      4.3000001E-02
 C   -3.639300       2.034700     -0.4802000    
 C   -2.440200       2.893900     -0.2061000    
 C   -1.587800       2.584000      0.8536000    
 C   -2.176700       4.001600      -1.012000    
 C    5.392100      -1.065300     -0.3208000    
 C  -0.4722000       3.381700       1.107700    
 C   -1.061100       4.799200     -0.7581000    
 C  -0.2088000       4.489400      0.3017000    
 C    5.616400     -0.6657000      0.9966000    
 C    6.454100      -1.521200      -1.101700    
 C    6.902800     -0.7219000       1.533200    
 C    7.740400      -1.577600     -0.5651000    
 C    7.964700      -1.177800      0.7523000    
 H   -1.432900      -1.849100       1.642600    
 H   -3.825600      -2.111300      -1.513900    
 H  -0.3640000      -3.595000     -0.6301000    
 H   -5.905700      -3.936400      0.9142000    
 H   -6.353200      -2.576100     -0.1264000    
 H   -5.321500      -3.872200     -0.7495000    
 H   -4.953800      -2.370700       2.687200    
 H   -3.754600      -1.149700       2.254300    
 H   -5.430700     -0.9842000       1.714900    
 H   0.8763000      -1.695800       1.151600    
 H    3.299100      -1.860700      0.8694000    
 H    2.735900     -0.2094000      0.4388000    
 H   -4.041100       2.237900      -1.479900    
 H   -4.411200       2.244100      0.2699000    
 H   -1.782100       1.728300       1.495100    
 H   -2.833100       4.255200      -1.840200    
 H   0.1692000       3.110600       1.942400    
 H  -0.8873000       5.654100      -1.406600    
 H    4.821600     -0.2798000       1.628100    
 H    6.285200      -1.833600      -2.128500    
 H    7.079100     -0.4049000       2.556900    
 H    8.567500      -1.932300      -1.173100    
 H    8.966600      -1.220200       1.169500    


%chk=000122461-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122461

0 1
S -2.346184 -2.717235 2.079551
O -2.079864 -1.993256 3.554471
O -0.799395 -3.162892 -2.288961
O -1.906699 0.720616 -1.233355
O -4.158853 0.298220 -1.691481
O 1.827396 -5.248011 1.141527
O 3.994908 -2.558787 0.027638
O -5.027427 6.449827 1.796912
O -2.853223 6.886033 2.332529
N -1.491188 -1.859170 -0.352480
N 1.462492 -3.126155 0.222272
N -3.760226 6.232301 1.687740
C -0.845399 -2.156506 0.931652
C -3.452770 -1.253854 1.002566
C -2.869290 -1.376435 -0.449900
C 0.027968 -3.243670 0.206696
C -0.756824 -2.821589 -1.096935
C -4.919168 -1.675408 1.083766
C -3.128710 0.030012 1.756114
C -3.061245 -0.047130 -1.196291
C 2.265826 -4.156052 0.678156
C 3.771164 -3.895230 0.586816
C -2.021023 2.049967 -1.945569
C -2.477024 3.138954 -0.998625
C -3.859799 3.426621 -0.848068
C -1.524446 3.883524 -0.255484
C 5.328548 -2.130120 -0.157238
C -4.289077 4.438998 0.031693
C -1.934688 4.898363 0.630482
C -3.315999 5.158764 0.758607
C 6.459600 -2.910772 0.179404
C 5.479247 -0.837468 -0.712682
C 7.750996 -2.379296 -0.047108
C 6.772959 -0.323658 -0.931298
C 7.916640 -1.090964 -0.599868
H -0.348796 -1.344621 1.488346
H -3.469622 -2.111991 -1.020632
H -0.224623 -4.274549 0.518366
H -5.287104 -1.607379 2.122376
H -5.535875 -1.000490 0.458811
H -5.078727 -2.708301 0.724571
H -2.983463 -0.214701 2.833222
H -2.201232 0.509746 1.399801
H -3.958108 0.755768 1.673261
H 1.938784 -2.300309 -0.154343
H 4.221170 -4.676185 -0.057041
H 4.202972 -3.979305 1.603277
H -0.995593 2.216713 -2.307770
H -2.718535 1.921942 -2.790346
H -4.591487 2.843455 -1.416357
H -0.456615 3.666532 -0.371189
H -5.346936 4.680851 0.162456
H -1.220121 5.485886 1.212513
H 6.355636 -3.911179 0.609605
H 4.585479 -0.258343 -0.965197
H 8.628397 -2.981662 0.212771
H 6.888800 0.676965 -1.361835
H 8.920175 -0.688585 -0.771114


