%chk=000046359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046359

0 1
 S   -3.399600      -3.854100      0.3070000    
 S   -3.521300       3.756700     -0.2979000    
 N  -0.1142000      -1.563200     -0.3351000    
 N  -0.1742000       1.551100      0.3250000    
 C    2.129500     -0.5912000     -0.4549000    
 C    2.103700      0.6549000      0.4547000    
 C    3.634900     -0.6992000     -0.1349000    
 C    3.606300      0.8180000      0.1439000    
 C    1.287100      -1.748600      3.1599998E-02
 C    1.222000       1.780400     -3.5700001E-02
 C  -0.9252000      -2.672900      0.1428000    
 C   -1.015000       2.643500     -0.1416000    
 C   -2.374600      -2.475800     -0.2835000    
 C   -2.459300       2.400500      0.2785000    
 H    1.971300     -0.3731000      -1.521800    
 H    1.945300      0.4316000       1.520400    
 H    3.875600      -1.300900      0.7497000    
 H    4.275800      -1.014600     -0.9624000    
 H    3.830200       1.428100     -0.7392000    
 H    4.230100       1.156500      0.9753000    
 H    1.383600      -1.865300       1.118200    
 H    1.659100      -2.673700     -0.4266000    
 H    1.322100       1.907900      -1.120900    
 H    1.558900       2.714500      0.4310000    
 H  -0.1940000      -1.494600      -1.349600    
 H  -0.4950000      0.6768000     -9.0200000E-02
 H  -0.8657000      -2.725700       1.237100    
 H  -0.5445000      -3.618000     -0.2650000    
 H  -0.9510000       2.721700      -1.234300    
 H  -0.6635000       3.590000      0.2882000    
 H   -2.779100      -1.543900      0.1260000    
 H   -2.458500      -2.430900      -1.374500    
 H   -2.542600       2.338300       1.368700    
 H   -2.838300       1.463800     -0.1442000    
 H   -3.204500      -3.643200       1.617100    
 H   -3.317500       3.567300      -1.609800    


%chk=000046359-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046359

0 1
S -3.710855 -3.488931 0.257244
S -3.806241 3.431165 -0.194070
N -0.044584 -1.572286 -0.442062
N -0.110677 1.517723 0.249899
C 2.257892 -0.615693 -0.420902
C 2.208916 0.709988 0.427775
C 3.797117 -0.694857 -0.127606
C 3.760094 0.830920 0.240435
C 1.368911 -1.797738 -0.022702
C 1.299564 1.851502 -0.034486
C -1.003414 -2.584431 0.072538
C -1.104921 2.462072 -0.279721
C -2.441991 -2.200508 -0.309045
C -2.466417 2.223379 0.395587
H 2.097016 -0.372133 -1.492992
H 1.962609 0.465324 1.479953
H 4.009151 -1.322002 0.758182
H 4.458339 -1.008378 -0.952131
H 4.017381 1.465914 -0.627428
H 4.351547 1.159228 1.110462
H 1.380563 -1.909752 1.079091
H 1.785473 -2.744107 -0.447860
H 1.495028 2.046063 -1.122835
H 1.566211 2.785381 0.503993
H -0.099405 -1.513428 -1.471844
H -0.314042 0.522771 0.030700
H -0.907471 -2.606305 1.175200
H -0.790663 -3.616616 -0.292533
H -1.229325 2.409203 -1.393634
H -0.774431 3.494270 -0.054242
H -2.713153 -1.217390 0.108416
H -2.572650 -2.164789 -1.405163
H -2.388166 2.392223 1.481250
H -2.827130 1.193567 0.225220
H -3.544807 -3.270318 1.615904
H -3.767570 3.051669 -1.527493


