%chk=000173992.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173992

1 1
 S  -0.4813000       1.426800      -1.255200    
 S    2.309300       1.116600       1.317100    
 N  -0.4486000     -0.7459000     -2.7000001E-03
 C   -1.746500     -0.3026000      0.1144000    
 C   0.3481000      4.2500000E-02 -0.6908000    
 C   7.8999996E-03  -1.987100      0.5870000    
 C   -1.960500      0.9104000     -0.5284000    
 C   -2.787800     -0.9522000      0.7924000    
 C    1.710900     -0.1822000     -0.9519000    
 C   -3.221500       1.522700     -0.5202000    
 C  -0.1793000      -3.116400     -0.4063000    
 C    2.723300      0.2656000     -0.1626000    
 C   -4.047400     -0.3450000      0.8031000    
 C    4.197100      3.2600001E-02 -0.4291000    
 C   -4.259400      0.8725000      0.1570000    
 C    4.718800      -1.248300      0.2108000    
 C    3.116900       2.690100      0.9655000    
 H    1.061200      -1.921600      0.8789000    
 H  -0.5281000      -2.196600       1.517900    
 H    1.958500     -0.7364000      -1.853500    
 H   -2.660800      -1.903600       1.297600    
 H   -3.394600       2.470000      -1.020600    
 H   -1.231100      -3.229300     -0.6872000    
 H   0.1589000      -4.062500      2.7600000E-02
 H   0.3921000      -2.941500      -1.323300    
 H   -4.871600     -0.8297000       1.319900    
 H    4.348900     -4.2300001E-02  -1.514000    
 H    4.813900      0.8779000     -0.1107000    
 H   -5.247500       1.325200      0.1784000    
 H    5.771600      -1.398000     -4.8999999E-02
 H    4.157500      -2.122200     -0.1368000    
 H    4.643400      -1.206100       1.302300    
 H    2.901200       3.029200     -5.1800001E-02
 H    4.198000       2.619200       1.107600    
 H    2.738200       3.443700       1.661900    


%chk=000173992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173992

1 1
S -0.427192 1.568322 0.250409
S 2.592414 2.233427 0.111352
N -0.713330 -1.055675 0.214056
C -2.042806 -0.562892 0.297323
C 0.271643 -0.093661 0.145831
C -0.436222 -2.522910 0.162490
C -2.096005 0.854508 0.337520
C -3.236813 -1.320099 0.343847
C 1.657562 -0.390416 -0.011249
C -3.311944 1.552819 0.433317
C -0.408042 -3.068116 -1.278458
C 2.767961 0.453379 -0.074674
C -4.458634 -0.626088 0.439412
C 4.148314 -0.155738 -0.219305
C -4.500723 0.792884 0.486095
C 4.847278 -0.355910 1.158384
C 4.293200 2.943915 -0.293287
H 0.513892 -2.714239 0.687255
H -1.220640 -3.018926 0.756886
H 1.899456 -1.453373 -0.116511
H -3.228945 -2.412381 0.299775
H -3.343338 2.645396 0.466193
H -1.371482 -2.903809 -1.790402
H -0.215770 -4.154700 -1.255551
H 0.385292 -2.592184 -1.880218
H -5.393171 -1.193774 0.476005
H 4.055427 -1.135278 -0.722571
H 4.787969 0.468973 -0.867329
H -5.464165 1.305298 0.561652
H 5.850308 -0.789917 1.006564
H 4.266861 -1.041600 1.799313
H 4.963137 0.596561 1.704799
H 4.535915 2.770213 -1.351198
H 5.059482 2.528689 0.375086
H 4.182809 4.022803 -0.107514


