%chk=000078382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078382

0 1
 S  -0.1839000       2.215900     -3.7400000E-02
 N   -2.788600       1.614700     -2.3300000E-02
 N   -2.781700      -2.162600      5.3700000E-02
 C    2.552300      -1.377400     -0.3491000    
 C    3.150400     -0.1435000      0.3425000    
 C    1.082300      -1.590200      4.4900000E-02
 C    2.405300       1.144200     -4.3600000E-02
 C   0.3058000     -0.3106000      4.6999999E-03
 C   0.9251000      0.9248000     -1.2200000E-02
 C   -1.115300     -0.1793000      5.1000002E-03
 C   -1.515500       1.139400     -1.7200001E-02
 C   -2.036200      -1.275500      3.1900000E-02
 H    3.132800      -2.270100     -9.0700001E-02
 H    2.626700      -1.249700      -1.436700    
 H    4.210100     -4.4199999E-02  8.1400000E-02
 H    3.100600     -0.2841000       1.430000    
 H    1.036100      -1.994800       1.063800    
 H   0.6364000      -2.334700     -0.6243000    
 H    2.698000       1.441100      -1.058300    
 H    2.699100       1.952300      0.6360000    
 H   -2.981100       2.611100     -4.0100001E-02
 H   -3.600500       1.005700     -1.1700000E-02


%chk=000078382-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078382

0 1
S -0.203814 2.328992 -0.068824
N -2.887056 1.609183 -0.025911
N -2.831208 -2.156920 0.082273
C 2.570290 -1.392157 -0.359762
C 3.190160 -0.167499 0.356087
C 1.087840 -1.594607 0.041435
C 2.472995 1.151024 -0.049932
C 0.328730 -0.281377 0.009227
C 0.983535 0.928883 -0.030959
C -1.127117 -0.163825 0.019474
C -1.583149 1.166177 -0.020240
C -2.038957 -1.254680 0.054534
H 3.147850 -2.304898 -0.121619
H 2.637404 -1.242141 -1.455779
H 4.267061 -0.086428 0.117107
H 3.105824 -0.305406 1.451903
H 1.027274 -2.028689 1.060565
H 0.602500 -2.326707 -0.632406
H 2.807133 1.463276 -1.061447
H 2.765539 1.964396 0.642619
H -3.119658 2.597040 -0.062636
H -3.644976 0.928862 0.003692


