%chk=000077901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077901

0 1
 S   0.4546000       1.583900     -0.1779000    
 O   -4.540000     -0.1417000      0.1915000    
 N   -1.745300      3.1900000E-02 -5.0799999E-02
 N   0.4313000     -0.9836000      6.6200003E-02
 C   -2.400900      -1.278000      6.6699997E-02
 C   -2.515000       1.164500      0.4752000    
 C   -3.826600      -1.189100     -0.4657000    
 C   -3.935600       1.122800     -7.7200003E-02
 C  -0.3474000      7.4100003E-02 -4.1299999E-02
 C    1.977800      0.7810000     -8.8000000E-02
 C    1.762600     -0.5945000      4.0899999E-02
 C    3.270100       1.328900     -0.1284000    
 C    2.882200      -1.449600      0.1323000    
 C    4.360600      0.4605000     -3.6100000E-02
 C    4.171500     -0.9111000      9.2600003E-02
 H   -2.415100      -1.570600       1.123700    
 H   -1.861500      -2.048200     -0.4966000    
 H   -2.099100       2.140600      0.2104000    
 H   -2.541800       1.090800       1.569400    
 H   -3.839000      -1.014900      -1.548500    
 H   -4.355700      -2.128100     -0.2747000    
 H   -4.545700       1.894800      0.4027000    
 H   -3.950500       1.311800      -1.157500    
 H    3.425300       2.398700     -0.2287000    
 H    2.746000      -2.522600      0.2332000    
 H    5.369400      0.8640000     -6.5399997E-02
 H    5.031800      -1.571100      0.1631000    


%chk=000077901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077901

0 1
S 0.455476 1.771856 0.275361
O -4.574534 -0.154140 -0.223800
N -1.778916 0.042522 0.377797
N 0.386149 -0.944184 0.134430
C -2.460718 -1.272054 0.451871
C -2.657160 1.209492 0.581340
C -3.663236 -1.279856 -0.507672
C -3.861639 1.122689 -0.380775
C -0.413175 0.102753 0.264741
C 2.007036 0.836273 0.072983
C 1.737510 -0.572631 0.023962
C 3.310936 1.349794 -0.027683
C 2.819201 -1.472116 -0.129267
C 4.379632 0.432824 -0.180682
C 4.131263 -0.963105 -0.230290
H -2.810278 -1.442695 1.490760
H -1.728689 -2.052628 0.189985
H -2.098375 2.143164 0.396109
H -3.020878 1.223493 1.629579
H -3.309756 -1.220091 -1.559169
H -4.269846 -2.189730 -0.371371
H -4.602201 1.906261 -0.151570
H -3.510933 1.234489 -1.429438
H 3.505060 2.426256 0.010140
H 2.616579 -2.546570 -0.166573
H 5.404643 0.809948 -0.260829
H 4.970851 -1.656816 -0.348839


