%chk=000178798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178798

0 1
 S   -3.533100     -0.3962000     -0.9310000    
 O   -3.232900      -2.421600      0.7375000    
 N   -1.627000      -2.117500     -0.9200000    
 C   -3.510200      0.7273000      0.5154000    
 C   -4.181000       2.064100      0.1761000    
 C   -2.079400      0.9349000       1.027500    
 C   -3.330500       2.962500     -0.7235000    
 C   -1.233600       1.834800      0.1254000    
 C   -1.928700       3.163500     -0.1561000    
 C   -2.777000      -1.817500     -0.2246000    
 C   0.3228000      -2.854400      0.4026000    
 C  -0.7655000      -3.231400     -0.5972000    
 C    1.252000      -1.756800     -0.1242000    
 C    2.321500      -1.395300      0.9095000    
 C    3.223600     -0.2930000      0.4164000    
 C    4.373900     -0.6174000     -0.2876000    
 C    2.889000       1.028300      0.6737000    
 C    5.208600      0.4025000     -0.7444000    
 C    3.723800       2.048100      0.2169000    
 C    4.883600       1.735200     -0.4922000    
 H   -4.098800      0.2367000       1.299400    
 H   -4.367900       2.602200       1.115100    
 H   -5.165200       1.904100     -0.2810000    
 H   -1.556200     -9.8999999E-03   1.207300    
 H   -2.144500       1.418400       2.012200    
 H   -3.260900       2.531700      -1.729200    
 H   -3.822000       3.936000     -0.8342000    
 H  -0.2694000       2.028100      0.6076000    
 H   -1.015000       1.324500     -0.8197000    
 H   -1.327500       3.752600     -0.8578000    
 H   -1.992800       3.743800      0.7727000    
 H  -0.1418000      -2.517600       1.337700    
 H   0.9116000      -3.748600      0.6392000    
 H   0.6713000     -0.8605000     -0.3738000    
 H    1.727700      -2.094000      -1.053700    
 H   -1.375800      -4.043600     -0.1874000    
 H  -0.3211000      -3.581600      -1.534800    
 H   -1.368600      -1.519800      -1.699300    
 H    2.922200      -2.280200       1.156100    
 H    1.847300      -1.085900       1.850000    
 H    4.634600      -1.652200     -0.4908000    
 H    1.990300       1.281400       1.227800    
 H    6.111400      0.1591000      -1.297000    
 H    3.470900       3.085900      0.4138000    
 H    5.533500       2.529400     -0.8479000    


%chk=000178798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178798

0 1
S -2.336152 0.884489 -0.641436
O -2.435815 -1.473265 0.848276
N -0.936886 -1.415045 -0.941648
C -3.711595 1.219925 0.660543
C -5.070538 1.412007 -0.045467
C -3.331645 2.446047 1.516968
C -5.133963 2.732161 -0.849395
C -3.389721 3.765701 0.711282
C -4.769802 3.950667 0.033866
C -1.901160 -0.875634 -0.122500
C 0.800139 -2.797905 0.270979
C -0.390900 -2.769846 -0.715904
C 2.025549 -1.995842 -0.215633
C 3.216463 -2.058888 0.781037
C 4.416414 -1.254986 0.301540
C 5.457526 -1.870296 -0.440697
C 4.497680 0.141124 0.545299
C 6.547731 -1.114364 -0.929094
C 5.584987 0.901834 0.059977
C 6.614716 0.276240 -0.681262
H -3.697291 0.288775 1.258023
H -5.852497 1.428568 0.744178
H -5.284680 0.544291 -0.695391
H -2.331247 2.300596 1.963499
H -4.058751 2.501098 2.355614
H -4.426578 2.668376 -1.701529
H -6.145043 2.860214 -1.281806
H -3.170450 4.622742 1.376884
H -2.596062 3.749996 -0.063702
H -4.776097 4.876780 -0.573105
H -5.545262 4.076610 0.818486
H 0.457603 -2.412354 1.250815
H 1.087350 -3.857946 0.428590
H 1.743410 -0.934837 -0.365490
H 2.361146 -2.378369 -1.201798
H -1.211994 -3.395654 -0.324932
H -0.084406 -3.177117 -1.698077
H -0.559038 -0.841011 -1.697190
H 3.501854 -3.119240 0.927378
H 2.870299 -1.681297 1.763533
H 5.415203 -2.950250 -0.631882
H 3.705359 0.632672 1.124355
H 7.344677 -1.608559 -1.496764
H 5.632378 1.978074 0.262344
H 7.460290 0.863819 -1.056266


