%chk=000117062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117062

1 1
 S    2.442500      -1.870900     -2.4100000E-02
 N    1.582100      0.4721000      0.1869000    
 C   0.4408000     -0.2961000      7.3200002E-02
 C  -0.9043000      0.1583000      7.6499999E-02
 C   0.7298000      -1.649800     -5.5000000E-02
 C    2.714100     -0.1956000      0.1542000    
 C    1.663400       1.906300      0.3367000    
 C   -1.936900     -0.8041000     -5.3800002E-02
 C  -0.2860000      -2.605100     -0.1835000    
 C   -1.613600      -2.162300     -0.1810000    
 C   -1.228000       1.524800      0.2041000    
 C    4.070600      0.3710000      0.2530000    
 C    1.737400       2.599000      -1.010700    
 C   -3.271000     -0.3674000     -5.2700002E-02
 C   -2.561700       1.931300      0.2020000    
 C   -3.579300      0.9887000      7.4199997E-02
 H   0.9667000       2.297600       1.075900    
 H    2.594500       2.171500      0.8552000    
 H  -5.8699999E-02  -3.661900     -0.2835000    
 H   -2.403200      -2.905600     -0.2814000    
 H  -0.5652000       2.363200      0.2102000    
 H    4.253000      0.7781000       1.252900    
 H    4.839500     -0.3908000      8.0100000E-02
 H    4.244100       1.155500     -0.4880000    
 H    2.608500       2.275800      -1.587900    
 H    1.809500       3.682600     -0.8744000    
 H   0.8552000       2.391800      -1.623400    
 H   -4.086300      -1.081200     -0.1523000    
 H   -2.810200       2.986300      0.2782000    
 H   -4.617000       1.309900      6.7800000E-02


%chk=000117062-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117062

1 1
S 2.474600 -1.985315 -0.057832
N 1.678849 0.489227 0.185156
C 0.447215 -0.237993 0.053555
C -0.923328 0.243859 0.051330
C 0.705925 -1.626086 -0.067193
C 2.810370 -0.261667 0.137490
C 1.791356 1.977541 0.359102
C -1.956217 -0.782430 -0.028310
C -0.305356 -2.613975 -0.166311
C -1.623709 -2.176461 -0.132670
C -1.356480 1.610297 0.104239
C 4.210230 0.250438 0.258174
C 1.745882 2.730643 -0.983899
C -3.336843 -0.404270 -0.015525
C -2.715750 1.943458 0.112119
C -3.719678 0.935041 0.060466
H 0.995043 2.287799 1.051203
H 2.744085 2.173839 0.874867
H -0.055526 -3.673972 -0.256255
H -2.439407 -2.904219 -0.192943
H -0.647328 2.435608 0.121155
H 4.421496 0.616625 1.281254
H 4.932560 -0.552525 0.043699
H 4.408793 1.076525 -0.447399
H 2.597508 2.453809 -1.629004
H 1.808663 3.815829 -0.791982
H 0.817516 2.535162 -1.545256
H -4.094115 -1.193542 -0.072005
H -3.008401 2.997435 0.151961
H -4.777655 1.212318 0.070215


