%chk=000097001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097001

0 1
 S    3.791700      -2.353500      -1.830100    
 O    3.984000      0.1370000       2.449900    
 O    3.145400       1.925200       1.334200    
 O   -1.711900       2.794200      -1.681800    
 O   0.3277000       2.491200     -0.9287000    
 O   -4.799400      -2.038400      0.6657000    
 O   -5.215500     -0.2934000     -0.5995000    
 N   0.9589000      0.5643000      0.5121000    
 N  -0.8713000       2.138800      -1.022600    
 N   -4.425800     -0.9947000      7.7799998E-02
 C    1.933000     -0.1890000       1.274400    
 C    2.480000      -1.346500      0.4292000    
 C  -0.3694000      0.1970000      0.3936000    
 C    3.186700     -0.9370000     -0.8663000    
 C    3.057900      0.7504000       1.666900    
 C   -1.293000      0.9536000     -0.3573000    
 C  -0.8376000     -0.9676000       1.035200    
 C   -2.627700      0.5617000     -0.4614000    
 C   -3.067300     -0.5948000      0.1828000    
 C   -2.172100      -1.359400      0.9310000    
 C    4.525900      -1.439200      -3.205100    
 H    1.513700     -0.5424000       2.223600    
 H    1.662800      -2.034000      0.1785000    
 H    3.182700      -1.926400       1.042600    
 H    1.308200       1.331600     -4.6700001E-02
 H    4.044700     -0.2966000     -0.6379000    
 H    2.499700     -0.3697000      -1.502400    
 H  -0.1920000      -1.607000       1.629000    
 H   -3.329200       1.154800      -1.043500    
 H   -2.479500      -2.266400       1.445400    
 H    4.710300      0.7463000       2.702000    
 H    4.957700      -2.146500      -3.918100    
 H    5.321000     -0.7812000      -2.844800    
 H    3.764200     -0.8486000      -3.720800    


%chk=000097001-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097001

0 1
S 3.825155 -2.432163 -1.750903
O 3.977345 0.235095 2.612966
O 3.248239 1.980835 1.255837
O -1.828563 2.916455 -1.611325
O 0.291904 2.713485 -0.809432
O -4.786528 -2.187618 0.485091
O -5.245119 -0.309001 -0.734438
N 0.963164 0.612168 0.609682
N -0.935243 2.273569 -0.943356
N -4.442802 -1.064290 -0.059637
C 1.989133 -0.151857 1.325000
C 2.576167 -1.342472 0.491698
C -0.333245 0.210171 0.435555
C 3.249466 -0.891273 -0.815166
C 3.105971 0.824466 1.702614
C -1.295893 1.000682 -0.309744
C -0.819792 -1.025549 0.993735
C -2.632651 0.581576 -0.468883
C -3.046997 -0.626150 0.104631
C -2.141141 -1.435769 0.841520
C 4.407468 -1.595079 -3.333855
H 1.583819 -0.563275 2.269723
H 1.753105 -2.042015 0.254648
H 3.299000 -1.881059 1.131197
H 1.215488 1.535698 0.208482
H 4.129349 -0.251829 -0.623325
H 2.540817 -0.342917 -1.460090
H -0.136284 -1.661647 1.560603
H -3.331482 1.200931 -1.037104
H -2.500402 -2.372748 1.275381
H 4.715188 0.864072 2.838529
H 4.767278 -2.396775 -3.997056
H 5.232014 -0.896717 -3.119612
H 3.570570 -1.065200 -3.816064


