%chk=000035065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035065

0 1
 S    4.658800      -1.360800     -0.7253000    
 N  -0.1812000      -2.486300     -6.8499997E-02
 N   0.9978000       2.043800     -0.3641000    
 N   0.3776000     -0.2131000     -0.2119000    
 N    2.673000      0.4112000     -0.5263000    
 N    2.070000      -1.906300     -0.3751000    
 N    5.657200     -4.1999999E-03   1.577800    
 C   -1.579500      -2.430700      0.1076000    
 C  -0.2426000       2.693900     -0.2254000    
 C   0.8008000      -1.489000     -0.2256000    
 C    1.367300      0.6810000     -0.3674000    
 C   -2.384300      -3.466700     -0.3666000    
 C   -2.157700      -1.339300      0.7558000    
 C  -0.3077000       3.963800      0.3519000    
 C   -1.412900       2.070700     -0.6643000    
 C   -3.767100      -3.411200     -0.1930000    
 C   -3.540700      -1.283900      0.9295000    
 C   -1.537400       4.607500      0.4900000    
 C   -2.642400       2.714700     -0.5262000    
 C   -4.345300      -2.319900      0.4550000    
 C   -2.704600       3.983200      5.0900001E-02
 C    2.950100     -0.9026000     -0.5201000    
 C    5.250700     -0.5556000      0.6414000    
 H   0.1842000      -3.421300     -0.2233000    
 H    1.801900       2.664100     -0.3491000    
 H   -1.946100      -4.322400     -0.8742000    
 H   -1.567000     -0.5360000       1.182700    
 H   0.5944000       4.461300      0.6992000    
 H   -1.406100       1.107000      -1.162200    
 H   -4.393700      -4.217900     -0.5621000    
 H   -3.990400     -0.4391000       1.443100    
 H   -1.585900       5.595200      0.9390000    
 H   -3.550500       2.233200     -0.8773000    
 H   -5.421700      -2.277800      0.5923000    
 H   -3.661800       4.485300      0.1562000    


%chk=000035065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035065

0 1
S 4.592181 -1.597004 -0.149886
N -0.299285 -2.582551 -0.115712
N 1.027918 2.010800 0.082217
N 0.228532 -0.248044 -0.009948
N 2.603418 0.327724 -0.000636
N 1.934393 -1.993821 -0.146979
N 6.121867 0.910617 -0.017996
C -1.718146 -2.586995 -0.006173
C -0.174165 2.772147 0.058877
C 0.615722 -1.558380 -0.084031
C 1.252614 0.658442 0.019178
C -2.378063 -3.804940 -0.327133
C -2.476671 -1.471538 0.434399
C -0.061531 4.150099 0.390428
C -1.436110 2.237846 -0.309382
C -3.778699 -3.904859 -0.213151
C -3.879237 -1.587266 0.542004
C -1.197747 4.982351 0.358752
C -2.565150 3.084521 -0.335029
C -4.540662 -2.794232 0.219666
C -2.459712 4.454191 -0.001762
C 2.833666 -0.991219 -0.090651
C 5.456406 -0.083650 -0.069935
H 0.152428 -3.494343 -0.235314
H 1.903593 2.538979 0.153813
H -1.794291 -4.669215 -0.668696
H -1.967499 -0.543402 0.695511
H 0.913368 4.565656 0.675050
H -1.517124 1.184561 -0.579568
H -4.273950 -4.848971 -0.464427
H -4.456938 -0.723616 0.890160
H -1.096880 6.041936 0.617153
H -3.534854 2.666372 -0.627720
H -5.629284 -2.871260 0.307644
H -3.342909 5.100863 -0.026321


