%chk=000081419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081419

0 1
 S   -5.385600     -0.8864000      0.2178000    
 S    5.385600      0.8865000      0.2176000    
 O  -0.2869000      -2.631000      0.7318000    
 O   0.2870000       2.631000      0.7321000    
 N   -1.069800      0.7777000      0.5833000    
 N    1.069700     -0.7776000      0.5837000    
 N   -7.793300     -7.1000000E-03 -0.3988000    
 N    7.793300      7.1000000E-03 -0.3990000    
 N   -5.987300       1.271500      -1.224500    
 N    5.987300      -1.271700      -1.224100    
 C   -1.274600     -0.5392000     -2.0000001E-03
 C    1.274600      0.5391000     -1.9000000E-03
 C   -2.645900      -1.092400      0.3509000    
 C    2.645800       1.092400      0.3508000    
 C  -0.1518000      -1.429600      0.5127000    
 C   0.1519000       1.429700      0.5126000    
 C   -3.756300     -0.2088000     -0.2080000    
 C    3.756300      0.2088000     -0.2080000    
 C   -6.464500      0.2658000     -0.5634000    
 C    6.464500     -0.2658000     -0.5635000    
 H   -1.161800     -0.4477000      -1.089300    
 H    1.161800      0.4474000      -1.089200    
 H   -2.743700      -2.108900     -5.2200001E-02
 H   -2.742800      -1.172700       1.442200    
 H    2.743600       2.108800     -5.2400000E-02
 H    2.742800       1.172900       1.442100    
 H   -1.867100       1.329100      0.8824000    
 H    1.867100      -1.328900      0.8829000    
 H   -3.667600     -0.1504000      -1.298300    
 H   -3.705700      0.8049000      0.1972000    
 H    3.667500      0.1501000      -1.298200    
 H    3.705700     -0.8048000      0.1974000    
 H   -8.102900     -0.8131000      0.1335000    
 H   -8.509300      0.5872000     -0.8022000    
 H    8.103000      0.8131000      0.1332000    
 H    8.509300     -0.5874000     -0.8021000    
 H   -6.768100       1.821100      -1.599800    
 H    6.768000      -1.821300      -1.599300    


%chk=000081419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081419

0 1
S -5.088473 -1.335946 0.085185
S 5.088405 1.334564 0.085506
O 0.439802 -2.667493 -0.237855
O -0.439293 2.668983 -0.238575
N -1.279128 0.521812 -0.568206
N 1.279486 -0.520419 -0.568462
N -5.927450 0.734146 1.574302
N 5.926335 -0.735558 1.575109
N -3.881664 1.127569 0.341299
N 3.880903 -1.128786 0.341565
C -1.111182 -0.887872 -0.981993
C 1.111426 0.889081 -0.982615
C -2.265892 -1.727591 -0.394412
C 2.266449 1.728634 -0.395499
C 0.271497 -1.445155 -0.555177
C -0.271120 1.446543 -0.555570
C -3.610870 -1.415106 -1.094105
C 3.611378 1.414392 -1.094456
C -4.895440 0.389315 0.714124
C 4.894662 -0.390603 0.714577
H -1.144915 -0.964991 -2.095163
H 1.144938 0.965826 -2.095817
H -2.001003 -2.793683 -0.489122
H -2.331266 -1.509855 0.686293
H 2.002300 2.794828 -0.491174
H 2.331403 1.511727 0.685395
H -2.251351 0.810496 -0.263774
H 2.251912 -0.808845 -0.264449
H -3.897497 -2.192430 -1.822013
H -3.602330 -0.436329 -1.601427
H 3.899048 2.190958 -1.822766
H 3.602073 0.435267 -1.601098
H -6.694912 0.091708 1.763159
H -5.924079 1.637092 2.045088
H 6.693876 -0.093264 1.764136
H 5.922634 -1.638460 2.045978
H -3.858066 2.095500 0.709790
H 3.857206 -2.096654 0.710219


