%chk=000096908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096908

0 1
 S   -1.122500     -0.2582000      -2.673900    
 P  -0.5484000     -4.0300000E-02 -0.8052000    
 N   -1.634000      0.8051000      0.1475000    
 N  -0.4038000      -1.478900      3.6100000E-02
 N   0.9227000      0.7453000     -0.5552000    
 C   -2.979000       1.008800     -0.3540000    
 C  -0.9647000      -1.555400       1.371400    
 C   -1.987200       2.134300     -0.3126000    
 C   -1.625900      -2.240700      0.2113000    
 C   -4.147100       1.027600      0.5582000    
 C  -0.3207000      -2.367500       2.430800    
 C    1.315500       1.065900      0.8217000    
 C    2.102000      0.2496000      -1.274600    
 C    2.382900       2.115700      0.8606000    
 C    2.662900     -0.9816000     -0.6321000    
 C    3.587500       1.937300       1.414900    
 C    2.759800      -2.167000      -1.244800    
 H   -3.276500      0.6384000      -1.322300    
 H   -1.491900     -0.7294000       1.824200    
 H   -1.562900       2.489400      -1.241500    
 H   -2.080100       2.884500      0.4618000    
 H   -1.523100      -3.313500      0.1123000    
 H   -2.557300      -1.838100     -0.1604000    
 H   -4.935800       1.669300      0.1528000    
 H   -4.555600      1.7999999E-02  0.6689000    
 H   -3.889000       1.397000       1.556500    
 H   0.2275000      -3.223600       2.022800    
 H   0.3875000      -1.754700       2.997700    
 H   -1.073100      -2.748200       3.128700    
 H    1.572600      0.1831000       1.416600    
 H   0.4638000       1.511900       1.347700    
 H    2.886100       1.011800      -1.348700    
 H    1.837500      4.9300000E-02  -2.318700    
 H    2.155300       3.081300      0.4151000    
 H    3.092900     -0.9142000      0.3629000    
 H    4.316800       2.740000       1.412400    
 H    3.866200      0.9984000       1.880000    
 H    3.210600      -3.013000     -0.7376000    
 H    2.391400      -2.315900      -2.253600    


%chk=000096908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096908

0 1
S -1.082744 -0.656234 -2.285071
P -0.420179 -0.109028 -0.364931
N -1.269237 1.250804 0.443287
N -0.613728 -1.337855 0.940551
N 1.230730 0.404720 -0.288914
C -2.787150 1.312826 0.354925
C -1.754874 -2.343123 0.821122
C -1.937840 2.283987 -0.444631
C -0.327724 -2.784125 0.565029
C -3.513347 1.705642 1.625683
C -2.495871 -2.664766 2.103617
C 1.782156 0.945036 0.982711
C 2.174318 0.100020 -1.392193
C 2.305056 2.357756 0.802886
C 2.901154 -1.222676 -1.212809
C 3.585228 2.741073 1.036651
C 2.886789 -2.228208 -2.123148
H -3.259300 0.523468 -0.250204
H -2.367214 -2.243988 -0.088918
H -1.884027 2.126965 -1.530735
H -1.813537 3.314176 -0.095568
H 0.219025 -3.336909 1.336192
H -0.039526 -2.993728 -0.473715
H -4.525162 2.085613 1.391406
H -3.615285 0.838269 2.302973
H -2.958003 2.493058 2.163457
H -1.797448 -2.704424 2.957047
H -3.258872 -1.895120 2.322040
H -3.006448 -3.642236 2.019837
H 2.587158 0.283731 1.362963
H 0.967014 0.941178 1.728770
H 2.899960 0.936952 -1.431774
H 1.612596 0.096727 -2.343487
H 1.560511 3.088054 0.454423
H 3.467892 -1.346145 -0.277072
H 3.909673 3.779588 0.906116
H 4.345357 2.025625 1.376908
H 3.434596 -3.163604 -1.958758
H 2.321205 -2.141299 -3.058965


