%chk=000033014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033014

0 1
 S  -8.8000000E-02  0.1581000      -2.014300    
 N    4.460400      -1.738600     -2.9899999E-02
 C  -0.3355000     -0.4507000     -0.2711000    
 C   0.4435000       1.859600      -1.542500    
 C  -7.9200000E-02  0.7584000      0.6158000    
 C   0.3171000       1.938200     -3.8100000E-02
 C   0.6630000      -1.577400     -3.5999999E-03
 C   -1.739400     -0.9538000     -0.1515000    
 C    2.100400      -1.089600     -0.1593000    
 C  -0.4816000       2.857400      -2.246800    
 C    1.896500       2.045600      -1.992200    
 C  -0.2075000      0.7383000       2.008800    
 C   0.5776000       3.090700      0.7091000    
 C    3.092100      -2.211900      0.1423000    
 C   -2.805000     -0.1174000     -0.4748000    
 C   -1.974200      -2.256100      0.2822000    
 C   5.1800001E-02   1.893400       2.745500    
 C   0.4428000       3.065700       2.097600    
 C   -4.113900     -0.5864000     -0.3635000    
 C   -3.283300      -2.725100      0.3934000    
 C   -4.353100      -1.890100      7.0500001E-02
 C    5.415500      -2.808300      0.2225000    
 H   0.5712000      -1.955200       1.024300    
 H   0.5156000      -2.425900     -0.6869000    
 H    2.300000     -0.7681000      -1.184900    
 H    2.316600     -0.2498000      0.5100000    
 H  -0.1921000       3.891200      -2.023600    
 H  -0.4419000       2.744900      -3.336900    
 H   -1.525700       2.746900      -1.931300    
 H    2.597000       1.401900      -1.452300    
 H    2.016400       1.861300      -3.066300    
 H    2.228100       3.075400      -1.809600    
 H  -0.5084000     -0.1681000       2.526300    
 H   0.8884000       4.010000      0.2211000    
 H    2.942400      -2.566800       1.169300    
 H    2.900300      -3.053000     -0.5352000    
 H   -2.657600      0.9085000     -0.7980000    
 H   -1.202900      -2.965000      0.5573000    
 H  -4.8900001E-02   1.880300       3.826900    
 H   0.6454000       3.962000       2.677000    
 H   -4.947200      6.4800002E-02 -0.6107000    
 H   -3.471200      -3.739700      0.7327000    
 H    4.639300     -0.9660000      0.6108000    
 H   -5.372300      -2.254800      0.1585000    
 H    5.336800      -3.184100       1.247900    
 H    6.432400      -2.429400      8.0600001E-02
 H    5.274500      -3.639600     -0.4759000    


%chk=000033014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033014

0 1
S -0.109985 0.106367 -2.123891
N 4.574090 -1.813147 0.201907
C -0.333130 -0.494340 -0.285257
C 0.412649 1.907884 -1.664899
C -0.072876 0.771124 0.539624
C 0.319658 1.948561 -0.138838
C 0.727376 -1.594623 0.018339
C -1.778946 -1.003000 -0.125054
C 2.196351 -1.134066 -0.036673
C -0.585485 2.885265 -2.332878
C 1.853121 2.166053 -2.169470
C -0.188444 0.773717 1.951218
C 0.603734 3.123233 0.601208
C 3.177133 -2.292380 0.229555
C -2.846521 -0.066433 -0.063133
C -2.099374 -2.383328 -0.060091
C 0.095735 1.944304 2.685421
C 0.495399 3.122399 2.008371
C -4.183933 -0.490339 0.061897
C -3.441950 -2.813076 0.061605
C -4.490834 -1.871089 0.123563
C 5.588970 -2.860332 0.415180
H 0.508841 -2.007127 1.026359
H 0.592467 -2.423368 -0.703401
H 2.415157 -0.710553 -1.033660
H 2.367264 -0.330300 0.708282
H -0.322500 3.932954 -2.088806
H -0.559050 2.773877 -3.431603
H -1.616521 2.692529 -1.992395
H 2.569751 1.468955 -1.704909
H 1.907645 2.042310 -3.265696
H 2.165029 3.200867 -1.926970
H -0.512900 -0.136052 2.469525
H 0.906630 4.039145 0.080146
H 2.911636 -2.794492 1.198225
H 3.065856 -3.060793 -0.562663
H -2.619600 1.004098 -0.116791
H -1.308831 -3.138206 -0.104364
H 0.002944 1.943380 3.777158
H 0.714955 4.033760 2.575704
H -4.988496 0.252500 0.108394
H -3.664608 -3.885399 0.107341
H 4.705177 -1.011506 0.833547
H -5.530524 -2.204147 0.217774
H 5.468548 -3.435187 1.367626
H 6.597502 -2.409700 0.411183
H 5.547091 -3.588598 -0.416507


