%chk=000096605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096605

0 1
 S   0.6914000       2.210100      5.2999998E-03
 O    6.379500       1.960300      2.6100000E-02
 O    6.229300      -2.732700     -1.8000000E-03
 N    4.215300      -1.567500     -2.4999999E-03
 N    3.397800       1.838500      1.4700000E-02
 N    6.333400     -0.3928000      1.1800000E-02
 N    2.256900     -7.6800004E-02 -7.9999998E-04
 C   -5.508400     -0.2134000     -8.7200001E-02
 C   -4.454400      0.8955000     -5.5399999E-02
 C   -6.924100      0.3672000     -5.0000001E-02
 C   -3.016700      0.3691000     -1.8200001E-02
 C   -7.980200     -0.7405000     -4.3600000E-02
 C   -1.961000       1.479000     -1.1000000E-02
 C   -9.393400     -0.1576000      2.6600000E-02
 C   -10.49080      -1.223700      4.9000001E-03
 C  -0.5531000      0.8885000     -8.0000004E-03
 C    4.328500      0.8395000      1.2700000E-02
 C    3.604000     -0.3212000      3.0000000E-03
 C   -11.89370     -0.6537000      0.1457000    
 C    2.165700       1.237100      6.3000000E-03
 C    5.754000      0.9040000      1.7800000E-02
 C    5.630100      -1.651300      2.4000001E-03
 C    3.400300      -2.776000     -1.3000000E-02
 C    7.789600     -0.4815000      1.4200000E-02
 H   -5.378200     -0.8186000     -0.9923000    
 H   -5.362200     -0.8794000      0.7719000    
 H   -4.580300       1.537100     -0.9363000    
 H   -4.621200       1.529900      0.8242000    
 H   -7.077700       1.018600     -0.9189000    
 H   -7.041700      0.9893000      0.8458000    
 H   -2.853400     -0.2786000     -0.8887000    
 H   -2.887900     -0.2589000      0.8721000    
 H   -7.879200      -1.350500     -0.9492000    
 H   -7.816300      -1.404000      0.8141000    
 H   -2.102300       2.113900     -0.8947000    
 H   -2.110800       2.109800      0.8741000    
 H   -9.490900      0.4386000      0.9426000    
 H   -9.546800      0.5290000     -0.8152000    
 H   -10.42850      -1.789600     -0.9321000    
 H   -10.31890      -1.937900      0.8192000    
 H  -0.4065000      0.2676000     -0.8985000    
 H  -0.4148000      0.2576000      0.8768000    
 H   -12.63540      -1.458000      0.1222000    
 H   -12.11630      4.0199999E-02 -0.6711000    
 H   -12.00330     -0.1159000       1.092700    
 H    3.578200       2.833700      2.0900000E-02
 H    2.773400      -2.774400     -0.9100000    
 H    2.767000      -2.785600      0.8796000    
 H    4.018600      -3.677300     -1.6400000E-02
 H    8.109800      -1.033100     -0.8755000    
 H    8.266900      0.5010000      2.0400001E-02
 H    8.106100      -1.042700      0.8993000    


%chk=000096605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096605

0 1
S 0.733198 2.315437 -0.066033
O 6.608291 1.934225 -0.134850
O 6.261345 -2.771364 0.126150
N 4.260605 -1.544429 0.084752
N 3.498534 1.921293 -0.093930
N 6.409673 -0.434816 -0.004773
N 2.305471 -0.019108 0.026337
C -5.548529 -0.169580 -0.089564
C -4.466178 0.926368 0.033343
C -6.987383 0.373686 0.062067
C -3.028105 0.375459 -0.100421
C -8.071051 -0.719652 -0.074025
C -1.952083 1.485545 -0.008041
C -9.510233 -0.178823 0.083053
C -10.594112 -1.272015 -0.057260
C -0.538760 0.893852 -0.100885
C 4.435532 0.877202 -0.048162
C 3.668969 -0.293246 0.024092
C -12.028661 -0.722544 0.099426
C 2.240040 1.339887 -0.045501
C 5.870445 0.902678 -0.068836
C 5.675568 -1.652353 0.072005
C 3.436313 -2.764901 0.165597
C 7.883067 -0.582918 -0.017659
H -5.449490 -0.673929 -1.073565
H -5.369926 -0.950440 0.679172
H -4.637395 1.699073 -0.744930
H -4.573074 1.439647 1.011529
H -7.164251 1.161018 -0.700502
H -7.089850 0.869900 1.049884
H -2.927319 -0.155795 -1.069253
H -2.850643 -0.380173 0.692498
H -7.971385 -1.212935 -1.063717
H -7.892425 -1.509605 0.685551
H -2.113897 2.218226 -0.823623
H -2.068723 2.033807 0.947370
H -9.612799 0.311640 1.073872
H -9.690119 0.612718 -0.674585
H -10.490288 -1.762467 -1.046781
H -10.414846 -2.061920 0.700765
H -0.372258 0.342611 -1.040101
H -0.297857 0.234149 0.747104
H -12.783715 -1.524231 0.001476
H -12.246222 0.042642 -0.669679
H -12.165061 -0.248876 1.090141
H 3.729782 2.912502 -0.156737
H 2.780800 -2.839198 -0.718366
H 2.807527 -2.738475 1.071516
H 4.120756 -3.624684 0.203784
H 8.195213 -1.189673 -0.883346
H 8.312110 0.428006 -0.079429
H 8.220799 -1.091521 0.900071


