%chk=000033183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033183

0 1
 S   0.5858000      -2.122400     -1.5000000E-03
 O    6.301100      -1.674900     -2.3200000E-02
 O    5.942100       3.002600     -8.9999998E-04
 N    3.308700      -1.685500     -1.1400000E-02
 N    3.979800       1.752300      2.2000000E-03
 N    6.146200      0.6692000     -1.0800000E-02
 N    2.087000      0.1792000      2.0999999E-03
 C   -5.633600      0.2506000      8.7200001E-02
 C   -4.570600     -0.8497000      5.6899998E-02
 C   -7.044500     -0.3415000      5.0600000E-02
 C   -3.137300     -0.3116000      1.9300001E-02
 C   -8.109600      0.7575000      4.2599998E-02
 C   -2.072500      -1.412900      1.3600000E-02
 C   -9.518000      0.1630000     -2.7000001E-02
 C  -0.6695000     -0.8110000      9.9999998E-03
 C   -10.62410       1.220200     -6.6999998E-03
 C    4.195800     -0.6476000     -1.0300000E-02
 C    3.422400      0.4810000     -2.0000001E-03
 C    2.052000      -1.137300     -3.7000000E-03
 C    5.622800     -0.6512000     -1.5400000E-02
 C   -12.02230      0.6385000     -0.1469000    
 C    5.389900       1.896600     -2.7999999E-03
 C    3.647400      -3.091900     -1.8900000E-02
 C    3.121300       2.930300      1.1600000E-02
 C    7.599700      0.7967000     -1.4600000E-02
 H   -5.492800      0.9167000     -0.7726000    
 H   -5.508500      0.8580000      0.9916000    
 H   -4.732100      -1.486500     -0.8219000    
 H   -4.691300      -1.491300      0.9385000    
 H   -7.156900     -0.9657000     -0.8444000    
 H   -7.192800     -0.9930000      0.9203000    
 H   -2.979300      0.3384000      0.8889000    
 H   -3.013500      0.3163000     -0.8718000    
 H   -7.951000       1.421300     -0.8158000    
 H   -8.013700       1.369400      0.9476000    
 H   -2.217100      -2.046000     -0.8708000    
 H   -2.208700      -2.047800      0.8980000    
 H   -9.665900     -0.5238000      0.8157000    
 H   -9.610500     -0.4351000     -0.9422000    
 H  -0.5373000     -0.1802000     -0.8758000    
 H  -0.5291000     -0.1879000      0.9000000    
 H   -10.45800       1.934700     -0.8217000    
 H   -10.56650       1.787700      0.9297000    
 H   -12.77060       1.436800     -0.1245000    
 H   -12.23920     -5.6000002E-02  0.6707000    
 H   -12.12740      9.8600000E-02  -1.093300    
 H    4.109400      -3.333800      0.9419000    
 H    2.770100      -3.719500     -0.1729000    
 H    4.349800      -3.272600     -0.8370000    
 H    2.494400       2.905300      0.9083000    
 H    2.488000       2.914800     -0.8808000    
 H    3.704100       3.854800      1.4500000E-02
 H    7.902800       1.365900      0.8700000    
 H    8.110700     -0.1686000     -1.4200000E-02
 H    7.897700       1.362700     -0.9030000    


%chk=000033183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033183

0 1
S 0.626076 -2.170441 0.096051
O 6.509161 -1.670712 0.009404
O 6.046649 3.023096 -0.143212
N 3.379372 -1.744242 0.055618
N 4.074795 1.751833 -0.068759
N 6.243518 0.687688 -0.066200
N 2.154434 0.194885 0.010457
C -5.693837 0.215136 0.100915
C -4.593269 -0.862624 -0.020374
C -7.123146 -0.350307 -0.059530
C -3.164875 -0.289150 0.122002
C -8.224538 0.725320 0.074902
C -2.070405 -1.380832 0.030308
C -9.654363 0.163036 -0.091858
C -0.666444 -0.768148 0.130539
C -10.755699 1.238837 0.046899
C 4.297560 -0.674600 0.007677
C 3.509655 0.486903 -0.018626
C 2.116810 -1.168584 0.053665
C 5.733825 -0.660832 -0.013464
C -12.180765 0.668247 -0.120320
C 5.484180 1.891368 -0.095500
C 3.702974 -3.179941 0.097409
C 3.221190 2.954253 -0.098072
C 7.713306 0.866882 -0.094895
H -5.524034 1.001397 -0.664271
H -5.607579 0.717674 1.087055
H -4.687194 -1.374188 -1.000810
H -4.755635 -1.640741 0.754395
H -7.212986 -0.844585 -1.049557
H -7.291213 -1.143030 0.699410
H -3.076995 0.240113 1.093190
H -2.996160 0.472326 -0.667213
H -8.054183 1.520862 -0.680700
H -8.137748 1.216294 1.066956
H -2.174076 -1.927869 -0.927358
H -2.223796 -2.119219 0.842481
H -9.826029 -0.634213 0.661649
H -9.744189 -0.324901 -1.085161
H -0.432043 -0.101849 -0.714134
H -0.511434 -0.216555 1.071476
H -10.584220 2.034628 -0.706724
H -10.665071 1.726525 1.039074
H -12.948545 1.457787 -0.022693
H -12.390770 -0.103878 0.643912
H -12.304525 0.197376 -1.114013
H 3.286260 -3.638965 1.011116
H 3.285409 -3.692981 -0.786676
H 4.799116 -3.280368 0.099008
H 2.594525 2.996603 0.808662
H 2.561883 2.929075 -0.982008
H 3.884328 3.830265 -0.142940
H 8.037311 1.471111 0.768100
H 8.165534 -0.134924 -0.058085
H 8.012692 1.392961 -1.016176


