%chk=000079389.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079389

0 1
 S   0.6218000      -1.066600       2.408700    
 O    5.034300      0.6621000     -0.6353000    
 N    2.620500     -0.7064000     -6.9999998E-04
 C    2.707400      0.7599000      4.5499999E-02
 C    3.566200      -1.235800     -0.9930000    
 C    1.256700      -1.136100     -0.3026000    
 C    4.141300       1.184600      0.3493000    
 C    4.979700     -0.7646000     -0.6638000    
 C   0.3424000     -0.6011000      0.8003000    
 C  -0.7456000      0.2955000      0.4201000    
 C   -2.024600     -0.1740000      7.8900002E-02
 C   -3.029700      0.7550000     -0.2807000    
 C  -0.4614000       1.661200      0.4062000    
 C   -2.328100      -1.545200      8.7700002E-02
 C   -2.726100       2.126200     -0.2891000    
 C   -1.449800       2.574800      5.2200001E-02
 C   -4.308600      0.2854000     -0.6217000    
 C   -3.604100      -1.994100     -0.2540000    
 C   -4.592400      -1.080600     -0.6081000    
 H    2.149000       1.156500      0.8879000    
 H    2.368700       1.212900     -0.8937000    
 H    3.292400     -0.8924000      -1.999200    
 H    3.546300      -2.331600     -0.9903000    
 H    1.182700      -2.230900     -0.3090000    
 H   0.9204000     -0.7726000      -1.281800    
 H    4.221200       2.276400      0.3257000    
 H    4.461700      0.8511000       1.344300    
 H    5.325700      -1.163600      0.2976000    
 H    5.676200      -1.108800      -1.434900    
 H   0.4888000       2.078400      0.7021000    
 H   -1.588000      -2.297000      0.3488000    
 H   -3.483700       2.858500     -0.5602000    
 H   -1.232100       3.638900      5.1199999E-02
 H   -5.096600      0.9814000     -0.9018000    
 H   -3.825600      -3.057400     -0.2454000    
 H   -5.585400      -1.430700     -0.8746000    


%chk=000079389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079389

0 1
S 1.029314 -0.014285 2.919860
O 4.991757 0.113322 -1.233032
N 2.552319 -0.603024 0.161027
C 2.699899 0.722804 -0.491204
C 3.368190 -1.630503 -0.534381
C 1.136323 -1.010766 0.306629
C 4.183365 1.123076 -0.528137
C 4.840921 -1.188132 -0.560983
C 0.391560 -0.158171 1.354529
C -0.831686 0.578442 0.938532
C -1.877414 -0.014747 0.120145
C -2.960546 0.829119 -0.352018
C -0.948721 1.932833 1.317820
C -1.938808 -1.416728 -0.182472
C -2.996536 2.213233 0.015915
C -2.016180 2.750180 0.853948
C -4.002273 0.258623 -1.157293
C -2.972921 -1.947265 -0.958691
C -4.007210 -1.101756 -1.467139
H 2.134206 1.475162 0.089776
H 2.291382 0.712353 -1.533839
H 3.021081 -1.798891 -1.585690
H 3.281823 -2.587910 0.014171
H 1.132474 -2.066307 0.644241
H 0.595178 -0.963666 -0.669732
H 4.327926 2.061111 -1.089091
H 4.558456 1.243977 0.510619
H 5.224238 -1.119256 0.479490
H 5.457691 -1.894480 -1.140953
H -0.171859 2.358112 1.961658
H -1.187461 -2.092942 0.235084
H -3.814543 2.840053 -0.358380
H -2.053747 3.804345 1.147586
H -4.808010 0.911943 -1.512698
H -2.999627 -3.021812 -1.169793
H -4.808965 -1.528746 -2.078903


