%chk=000060891.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060891

0 1
 S   -8.910000      0.2424000       1.261500    
 O   -4.758300      -1.387600      -1.874700    
 O   -6.674400     -0.4423000     -0.1384000    
 O    6.457500      -2.217000      0.4102000    
 O    7.416600      0.3909000      0.4179000    
 N  -0.2018000      0.1784000     -0.4313000    
 N   -3.030400     -0.3886000     -0.7073000    
 N    2.008600     -0.6143000     -0.1527000    
 N    1.556600       1.748500     -0.2942000    
 N    3.306100       3.315900     -0.1575000    
 N   -5.087900      0.5761000       1.065800    
 N   -6.308300      0.8344000       1.661700    
 C   -1.173700       1.264400     -0.5819000    
 C  -0.6982000      -1.200200     -0.4462000    
 C   -2.546500      0.8369000     -6.1700001E-02
 C   -2.006700      -1.292000      -1.228100    
 C    1.157300      0.4468000     -0.2889000    
 C   -4.387500     -0.6997000     -0.9212000    
 C    3.322300     -0.3626000     -1.4300000E-02
 C    3.820500      0.9504000     -8.5000005E-03
 C    2.878100       1.964800     -0.1536000    
 C   -5.360200     -0.1664000      2.9800000E-02
 C    4.235100      -1.404800      0.1286000    
 C    5.196000       1.201600      0.1368000    
 C    5.604500      -1.163400      0.2735000    
 C    6.085800      0.1411000      0.2777000    
 C   -7.204900      0.2209000      0.9253000    
 C    6.720800      -2.669600       1.736800    
 C    8.193100      0.4618000     -0.7769000    
 C   -9.610100     -0.7665000     -8.8100001E-02
 H   -1.237800       1.541500      -1.641100    
 H  -0.8702000       2.155700     -2.0400001E-02
 H  -0.8474000      -1.537600      0.5865000    
 H   1.9500000E-02  -1.879100     -0.9215000    
 H   -2.488600      0.6338000       1.014300    
 H   -3.264200       1.646600     -0.2282000    
 H   -1.844500      -1.017100      -2.277800    
 H   -2.390900      -2.318300      -1.215300    
 H    3.876200      -2.433000      0.1267000    
 H    5.598700       2.210600      0.1531000    
 H    4.187500       3.541400     -0.6012000    
 H    2.570900       4.008900     -0.2387000    
 H    7.176500      -1.872500       2.332800    
 H    7.421000      -3.507500       1.680200    
 H    5.798500      -3.015500       2.214100    
 H    7.839400       1.277000      -1.415900    
 H    8.151400     -0.4874000      -1.320300    
 H    9.231800      0.6604000     -0.4990000    
 H   -10.69540     -0.8185000      2.9899999E-02
 H   -9.202100      -1.780100     -5.2600000E-02
 H   -9.381500     -0.3131000      -1.056200    


%chk=000060891-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060891

0 1
S -9.360171 0.704204 0.148398
O -4.728156 -1.835037 -1.190369
O -6.810603 -0.258260 -0.361113
O 6.536601 -2.251489 0.121691
O 7.490917 0.500973 -0.019183
N -0.259712 0.089228 0.054482
N -3.094638 -0.493974 -0.207342
N 1.957429 -0.691024 0.085561
N 1.438350 1.708247 0.032040
N 3.070762 3.356162 0.024205
N -5.498301 1.026039 0.989370
N -6.863345 1.444466 1.176020
C -1.265294 1.171002 0.033088
C -0.752334 -1.301898 0.054870
C -2.606293 0.664611 0.586922
C -2.053561 -1.412556 -0.751483
C 1.097098 0.362027 0.057093
C -4.408774 -0.825364 -0.480466
C 3.305896 -0.375549 0.068616
C 3.786263 0.989294 0.036385
C 2.754389 2.015188 0.032152
C -5.492143 0.037018 0.088704
C 4.266305 -1.433551 0.109280
C 5.186331 1.244720 -0.005502
C 5.636090 -1.163906 0.100987
C 6.108924 0.195369 0.009611
C -7.592150 0.662449 0.367095
C 7.435362 -2.294093 1.300285
C 8.196412 0.029427 -1.235035
C -9.563862 -0.727263 -1.070038
H -1.401724 1.560041 -0.997243
H -0.902944 2.011903 0.647258
H -0.912660 -1.662156 1.092388
H 0.028110 -1.941625 -0.388307
H -2.489998 0.370359 1.648877
H -3.352204 1.472739 0.564539
H -1.868684 -1.171887 -1.816859
H -2.448765 -2.442341 -0.717697
H 3.916813 -2.467652 0.163220
H 5.595427 2.259596 -0.070068
H 4.028860 3.689038 0.057587
H 2.302423 4.023979 0.018471
H 8.025220 -1.363650 1.382516
H 8.094708 -3.158960 1.132175
H 6.840767 -2.446690 2.220730
H 7.788756 0.535400 -2.131077
H 8.099546 -1.065476 -1.347395
H 9.250369 0.311961 -1.090742
H -10.645779 -0.782252 -1.262663
H -9.202361 -1.659739 -0.615784
H -9.014868 -0.512546 -1.996750


