%chk=000093505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093505

0 1
 S   -3.144400      4.0800001E-02 -8.3499998E-02
 S  -0.5716000       1.500500     -4.5499999E-02
 O   -3.528200       1.311300     -0.7003000    
 O   -3.555800      -1.221100     -0.6974000    
 N  -0.6661000      -1.077100     -3.7000000E-02
 N   -3.739400      5.9300002E-02   1.534100    
 N    4.626200      0.7512000      4.8300002E-02
 C   0.9285000      0.6510000     -1.5799999E-02
 C   0.6754000     -0.7241000     -1.5100000E-02
 C   -1.405800      7.1000000E-03 -5.4299999E-02
 C    2.235100       1.164600      4.9999999E-03
 C    1.770700      -1.614700      7.0000002E-03
 C    3.301100      0.2616000      2.6900001E-02
 C    3.074300      -1.110300      2.7700000E-02
 H    2.408500       2.237200      4.1000000E-03
 H    1.604700      -2.688300      8.0000004E-03
 H    3.907700      -1.808800      4.4700000E-02
 H   -3.590900     -0.7955000       2.085700    
 H   -3.560200      0.9137000       2.077300    
 H    5.404100      0.1052000      6.3500002E-02
 H    4.797200       1.748000      4.7100000E-02


%chk=000093505-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093505

0 1
S -3.229638 0.116011 -0.055740
S -0.480019 1.727875 -0.190530
O -3.662664 1.649643 -0.383969
O -3.770393 -1.157116 -0.901991
N -0.634240 -0.960218 0.067709
N -3.591139 -0.135321 1.725383
N 4.753309 0.673671 -0.037341
C 1.048943 0.740452 -0.076923
C 0.737939 -0.657821 0.053294
C -1.349279 0.117622 -0.048308
C 2.369494 1.210258 -0.110801
C 1.796916 -1.593049 0.152239
C 3.426129 0.258499 -0.009711
C 3.120016 -1.139022 0.121409
H 2.597070 2.276254 -0.212303
H 1.562509 -2.656986 0.248767
H 3.943246 -1.858734 0.196612
H -3.873154 -1.116071 1.881876
H -4.299033 0.560098 2.012732
H 5.510368 -0.000242 0.032677
H 4.994720 1.655797 -0.134580


