%chk=000035566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035566

0 1
 S    3.461200      -1.226400      0.5666000    
 S   -1.616000      -2.630500     -0.2341000    
 S  -0.3428000       2.501900      0.4234000    
 N   0.8813000      -1.781300      0.1704000    
 N    1.454400      0.5299000      0.4667000    
 N  -0.8319000     -0.1024000      0.1050000    
 C    1.739200     -0.7752000      0.3796000    
 C  -0.3901000      -1.369000      4.2100001E-02
 C   0.1458000      0.7926000      0.3192000    
 C    4.294200      0.2467000     -8.3600000E-02
 C   -3.139600      -1.649300     -0.3432000    
 C   -2.137500       2.390100      0.1744000    
 C    5.777300      7.2099999E-02 -1.6200000E-02
 C   -4.313400      -2.544400     -0.5790000    
 C   -2.751200       3.752100      0.2277000    
 C    6.583100      0.1204000      -1.083300    
 C   -5.367200      -2.623900      0.2415000    
 C   -3.446800       4.296500     -0.7771000    
 H    3.958500      0.4259000      -1.110800    
 H    4.023000       1.119400      0.5198000    
 H   -3.267800      -1.072600      0.5795000    
 H   -3.061600     -0.9462000      -1.179400    
 H   -2.341900       1.907200     -0.7876000    
 H   -2.578300       1.776000      0.9671000    
 H    6.227400     -7.4800000E-02  0.9629000    
 H   -4.320400      -3.144200      -1.486200    
 H   -2.647600       4.319900       1.149600    
 H    7.654800      1.9999999E-04 -0.9681000    
 H    6.193000      0.2785000      -2.082600    
 H   -6.196100      -3.283100      8.2999999E-03
 H   -5.422700      -2.039300       1.153100    
 H   -3.880300       5.285100     -0.6725000    
 H   -3.595400       3.772100      -1.714600    


%chk=000035566-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035566

0 1
S 3.379889 -1.506223 0.054544
S -1.699857 -2.332341 1.484216
S -0.361366 2.121667 -1.477995
N 0.775869 -1.713289 0.665745
N 1.361578 0.240914 -0.645507
N -0.943355 -0.134225 -0.001400
C 1.672332 -0.915973 0.009593
C -0.514117 -1.275897 0.622580
C 0.041534 0.584288 -0.614875
C 4.284547 -0.142293 -0.953906
C -3.339813 -1.397981 1.142829
C -2.251481 2.230465 -1.169471
C 5.278039 0.583926 -0.094153
C -3.943066 -1.783915 -0.177383
C -2.571621 2.881669 0.145436
C 6.621423 0.553460 -0.289956
C -5.130876 -2.426270 -0.315114
C -3.214298 4.070642 0.271317
H 4.754406 -0.658953 -1.805025
H 3.464870 0.510364 -1.303102
H -3.981974 -1.660806 1.998903
H -3.071805 -0.329994 1.178944
H -2.632815 2.799868 -2.032390
H -2.605133 1.187799 -1.211572
H 4.857420 1.178684 0.728328
H -3.361822 -1.505490 -1.067106
H -2.259577 2.327271 1.041024
H 7.305477 1.121429 0.349645
H 7.072405 -0.035902 -1.098084
H -5.536097 -2.672916 -1.302423
H -5.731412 -2.722185 0.554088
H -3.440058 4.496746 1.254816
H -3.534646 4.649458 -0.603945


