%chk=000076754.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076754

0 1
 S   -1.022300      -2.635800      0.3554000    
 S  -0.1488000     -0.5542000      -1.182800    
 S   -3.586100      -1.734300     -0.9897000    
 S    2.176000       1.204600      -2.017900    
 N   0.2574000      -1.610900      4.3499999E-02
 N   -2.447400     -0.4453000      0.9322000    
 N    1.014000       1.362000      0.2793000    
 C    1.616000      -2.148000      8.8500001E-02
 C    1.908400      -2.709000       1.484600    
 C    1.785600      -3.226600     -0.9871000    
 C    3.294100      -3.349200       1.548200    
 C    3.171700      -3.865400     -0.9207000    
 C    3.471500      -4.415400      0.4710000    
 C   -2.368900      -1.497000      0.1706000    
 C    1.021200      0.7393000     -0.8628000    
 C   -4.340300     -0.2797000     -0.4527000    
 C    2.768600       2.383000     -0.9075000    
 C   -3.583200      0.2717000      0.5853000    
 C    2.019600       2.317700      0.2713000    
 C   -5.517300      0.3296000     -0.9166000    
 C    3.820500       3.299200      -1.067900    
 C   -4.021700       1.475400       1.178300    
 C    2.336700       3.201800       1.325300    
 C   -5.929000       1.520200     -0.3126000    
 C    4.113600       4.162700     -9.4999997E-03
 C   -5.192500       2.087400      0.7214000    
 C    3.382700       4.116400       1.172500    
 H    2.360800      -1.362100     -8.7200001E-02
 H    1.184600      -3.477200       1.781900    
 H    1.847600      -1.908600       2.232800    
 H    1.649800      -2.804900      -1.990300    
 H    1.050200      -4.033200     -0.8800000    
 H    3.450000      -3.794500       2.537400    
 H    4.059900      -2.573600       1.423700    
 H    3.930000      -3.119800      -1.189700    
 H    3.242400      -4.672300      -1.658900    
 H    4.495900      -4.803200      0.5013000    
 H    2.803600      -5.259900      0.6807000    
 H   -6.097400     -0.1075000      -1.723500    
 H    4.395500       3.341000      -1.987800    
 H   -3.453600       1.927300       1.986600    
 H    1.772100       3.174000       2.253000    
 H   -6.837200       2.008200     -0.6567000    
 H    4.924000       4.879500     -0.1130000    
 H   -5.528100       3.013900       1.179200    
 H    3.625100       4.795800       1.985100    


%chk=000076754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076754

0 1
S -0.169082 -2.101508 -1.700978
S 2.615254 -0.823568 -2.042761
S -2.284461 0.221480 -1.781998
S 3.550709 2.166275 -2.022117
N 1.450067 -1.673174 -0.893087
N -1.305427 -0.823935 0.507462
N 1.197515 1.342985 -0.959986
C 2.106087 -2.812755 -0.148705
C 1.207062 -3.204947 1.043747
C 2.489007 -4.042072 -1.007777
C 1.903545 -4.288515 1.904829
C 3.168777 -5.133290 -0.142133
C 2.280598 -5.529099 1.060971
C -1.216552 -0.937142 -0.795104
C 2.266316 0.889325 -1.555621
C -2.866709 0.864492 -0.194573
C 2.417279 3.389352 -1.297123
C -2.203452 0.190204 0.888222
C 1.244952 2.742911 -0.780516
C -3.816933 1.877984 0.044058
C 2.589828 4.783560 -1.207960
C -2.495716 0.554475 2.225206
C 0.234968 3.514615 -0.159867
C -4.092502 2.228672 1.384805
C 1.570777 5.539049 -0.582982
C -3.437311 1.573251 2.464134
C 0.407197 4.909995 -0.064815
H 3.032256 -2.350365 0.252190
H 0.243295 -3.595961 0.663714
H 0.973321 -2.303029 1.634702
H 3.160909 -3.732264 -1.833073
H 1.566209 -4.454096 -1.466014
H 1.234049 -4.577492 2.737445
H 2.821049 -3.866057 2.364943
H 4.141110 -4.750362 0.231736
H 3.394073 -6.018885 -0.766629
H 2.804135 -6.275280 1.689393
H 1.354311 -6.013250 0.688910
H -4.326086 2.387366 -0.779645
H 3.482594 5.276094 -1.604751
H -1.985357 0.036619 3.042488
H -0.656235 3.015151 0.231527
H -4.822775 3.018083 1.593002
H 1.684884 6.625181 -0.499204
H -3.671084 1.864810 3.493537
H -0.367150 5.518216 0.414599


