%chk=000161160.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161160

1 1
 S    1.121100      -1.181000     -0.3560000    
 N    2.589800      0.7245000      0.8196000    
 N   -3.710900     -0.7530000      0.7196000    
 C   -2.025700      0.7247000     -7.3100001E-02
 C   -1.207200      0.2938000      0.9727000    
 C    1.275600      0.2800000      0.6628000    
 C   -3.318700      0.1668000     -0.1822000    
 C    3.505300     -9.3599997E-02  0.1301000    
 C   0.1539000      0.8103000       1.175100    
 C    3.063500       1.867300       1.576300    
 C    2.901200      -1.168700     -0.5600000    
 C   -1.652100     -0.6560000       1.879100    
 C   -5.044500      -1.363100      0.6498000    
 C   -2.929100      -1.169500       1.724500    
 C   -1.620000       1.683300      -1.014900    
 C   -4.177200      0.5648000      -1.211700    
 C    4.887900      5.2900001E-02  6.8899997E-02
 C    3.643000      -2.082300      -1.296000    
 C    3.147200       3.108700      0.7125000    
 C   -2.482800       2.076000      -2.040400    
 C   -3.757200       1.518300      -2.138100    
 C   -5.033500      -2.619000     -0.2008000    
 C    5.644200     -0.8631000     -0.6704000    
 C    5.026400      -1.922200      -1.347500    
 H   0.2015000       1.702200       1.794700    
 H    2.380200       2.070800       2.409800    
 H    4.027400       1.670500       2.059300    
 H   -1.030100      -1.004000       2.698600    
 H   -5.344000      -1.628600       1.672700    
 H   -5.797400     -0.6367000      0.3365000    
 H   -3.322900      -1.919900       2.400700    
 H  -0.6371000       2.146000     -0.9755000    
 H   -5.169500      0.1577000      -1.364700    
 H    5.405900      0.8628000      0.5714000    
 H    3.168500      -2.904200      -1.822100    
 H    3.853400       2.976100     -0.1133000    
 H    2.171800       3.355300      0.2796000    
 H    3.479800       3.964800       1.307800    
 H   -2.159700       2.817900      -2.765100    
 H   -4.421200       1.824200      -2.941700    
 H   -4.324000      -3.354400      0.1919000    
 H   -6.027000      -3.077500     -0.2140000    
 H   -4.745100      -2.399200      -1.233000    
 H    6.724100     -0.7509000     -0.7219000    
 H    5.631100      -2.622800      -1.916700    


%chk=000161160-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161160

1 1
S 1.814151 -1.884641 0.305617
N 2.736586 0.590420 0.402171
N -3.722071 -1.078484 0.475899
C -2.222571 0.839648 0.054032
C -1.041835 0.000327 0.332407
C 1.523022 -0.086621 0.348852
C -3.553648 0.280462 0.124640
C 3.901547 -0.218610 0.359800
C 0.271783 0.551160 0.273542
C 2.833259 2.073256 0.480339
C 3.610210 -1.605885 0.322319
C -1.320910 -1.362658 0.677205
C -5.074399 -1.720337 0.525532
C -2.618816 -1.850574 0.740119
C -2.115111 2.218026 -0.307869
C -4.691225 1.092001 -0.156139
C 5.246640 0.217470 0.361370
C 4.618545 -2.581971 0.300276
C 2.898777 2.741214 -0.908139
C -3.237186 3.008948 -0.575570
C -4.536305 2.440264 -0.496479
C -5.594250 -2.128667 -0.867009
C 6.266380 -0.756883 0.337747
C 5.962035 -2.141427 0.309543
H 0.336982 1.631011 0.129611
H 1.976057 2.443681 1.066988
H 3.734685 2.310211 1.070113
H -0.527336 -2.057238 0.952128
H -4.982085 -2.610229 1.170897
H -5.771757 -1.034160 1.034124
H -2.816194 -2.887663 1.021837
H -1.129827 2.682699 -0.392645
H -5.697880 0.672454 -0.110695
H 5.505278 1.279731 0.373999
H 4.379967 -3.648979 0.274416
H 3.777748 2.394198 -1.477693
H 1.998882 2.523699 -1.509303
H 2.979077 3.835980 -0.790364
H -3.114800 4.060685 -0.850500
H -5.418961 3.051913 -0.706769
H -4.918678 -2.859618 -1.343698
H -6.587372 -2.599713 -0.764172
H -5.695338 -1.263303 -1.543252
H 7.311960 -0.434183 0.338392
H 6.770886 -2.877614 0.291282


