%chk=000095876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095876

0 1
 S  -0.4502000      0.1704000     -0.9405000    
 S   0.4467000      0.1890000      0.9168000    
 S   -1.965500      -2.381900     -0.7201000    
 S    1.955900      -2.371200      0.7510000    
 N   -3.064700      9.7099997E-02 -0.2106000    
 N    3.060800      9.3699999E-02  0.1886000    
 C   -4.097800     -0.3915000      0.7062000    
 C   -3.285100       1.476000     -0.6574000    
 C    3.264600       1.463900      0.6653000    
 C    4.116800     -0.3738000     -0.7149000    
 C   -4.810100      -1.600900      0.1135000    
 C   -3.489100     -0.7199000       2.063300    
 C   -4.584200       1.581300      -1.446400    
 C   -3.284400       2.425100      0.5339000    
 C    3.241200       2.440100     -0.5038000    
 C    4.568200       1.569800       1.446900    
 C    3.532000     -0.7217000      -2.077600    
 C    4.850800      -1.563600     -0.1090000    
 C   -1.963700     -0.6947000     -0.5951000    
 C    1.957900     -0.6871000      0.5899000    
 H   -4.862800      0.3698000      0.8763000    
 H   -2.486100       1.778600      -1.339100    
 H    2.472400       1.745800       1.363200    
 H    4.862400      0.4067000     -0.8836000    
 H   -4.401700      -2.564600      0.4279000    
 H   -5.839100      -1.615200      0.4981000    
 H   -4.898900      -1.554000     -0.9772000    
 H   -2.980400      0.1535000       2.485500    
 H   -2.760900      -1.534400       2.030200    
 H   -4.273800      -1.016600       2.768300    
 H   -5.480600       1.425000     -0.8393000    
 H   -4.673600       2.578100      -1.893000    
 H   -4.603500      0.8505000      -2.262600    
 H   -2.380300       2.296600       1.138700    
 H   -4.148300       2.307000       1.194100    
 H   -3.298200       3.463400      0.1830000    
 H    2.331700       2.316500      -1.101400    
 H    4.097800       2.341200      -1.176800    
 H    3.251200       3.470600     -0.1308000    
 H    5.463600       1.448800      0.8306000    
 H    4.642800       2.555700       1.920100    
 H    4.606700      0.8187000       2.243800    
 H    3.010200      0.1392000      -2.509500    
 H    2.818600      -1.549700      -2.042100    
 H    4.329300      -1.008500      -2.772200    
 H    4.429900      -2.534300     -0.3814000    
 H    5.870300      -1.587800     -0.5163000    
 H    4.956600      -1.487900      0.9783000    


%chk=000095876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095876

0 1
S -0.445662 2.647949 -1.173571
S 0.454656 2.631416 1.208289
S -1.748087 1.513914 -3.448059
S 1.770083 1.484036 3.467111
N -2.553391 0.750437 -0.895721
N 2.559679 0.733491 0.905986
C -3.507898 -0.309548 -1.411253
C -2.581670 0.985692 0.594511
C 2.576914 0.974312 -0.583383
C 3.515501 -0.331034 1.410205
C -4.681472 0.287529 -2.221209
C -2.770162 -1.444560 -2.156009
C -3.989132 1.411365 1.070164
C -2.028481 -0.229486 1.369030
C 2.014554 -0.236973 -1.357358
C 3.981402 1.398165 -1.069118
C 2.780769 -1.469315 2.152913
C 4.694771 0.260158 2.216119
C -1.746223 1.460598 -1.719833
C 1.758718 1.440530 1.738647
H -3.930609 -0.750880 -0.490758
H -1.901771 1.831831 0.781130
H 1.897870 1.822980 -0.761695
H 3.931907 -0.767856 0.484662
H -4.330812 0.728387 -3.168127
H -5.405811 -0.515046 -2.453074
H -5.204911 1.069690 -1.644492
H -1.965031 -1.866927 -1.528548
H -2.330362 -1.095033 -3.104218
H -3.491239 -2.250240 -2.384811
H -4.738552 0.605410 0.970179
H -3.932865 1.681171 2.139703
H -4.343427 2.295285 0.512154
H -0.999849 -0.465107 1.044750
H -2.658568 -1.129830 1.244302
H -1.989851 0.012743 2.445420
H 0.988423 -0.471799 -1.024662
H 2.644017 -1.138882 -1.240809
H 1.966931 0.008966 -2.432521
H 4.729523 0.589713 -0.980087
H 3.916315 1.673556 -2.136729
H 4.343116 2.278340 -0.509965
H 1.969867 -1.885597 1.528843
H 2.348985 -1.125279 3.106758
H 3.501766 -2.278147 2.370633
H 4.350256 0.697094 3.167105
H 5.419127 -0.544596 2.440175
H 5.216084 1.044181 1.640021


