%chk=000002395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002395

0 1
 S    1.238600      -3.523300      -1.327000    
 O    2.881100     -3.7999999E-02  0.3965000    
 O    4.654500      0.9846000     -0.6660000    
 O   -3.025900      -3.323300     -0.1646000    
 N   -1.046200      -2.071300     -4.9899999E-02
 N   -2.452000       2.437700     -0.5178000    
 N   -3.814900      0.9717000      0.8240000    
 N  -0.7620000       1.545400      -1.922100    
 C   0.1651000      -1.920700      0.5805000    
 C   -1.386600      -1.138900      -1.114500    
 C    2.638300      -2.421000      0.8129000    
 C    1.282600      -2.544300      0.1365000    
 C    3.499500      -1.305800      0.2223000    
 C    2.795700       2.315400      0.1716000    
 C   -2.108800      6.9700003E-02 -0.5933000    
 C   9.8600000E-02  -1.027000       1.789500    
 C    3.571000       1.037900     -9.8800004E-02
 C   -1.805100       1.349100     -0.9837000    
 C    3.033500       3.337800     -0.9367000    
 C    3.193000       2.880600       1.530000    
 C   -1.923100      -3.083400      0.3158000    
 C   -3.126100     -7.1800001E-02  0.3170000    
 C   -3.431300       2.180100      0.3700000    
 C   -4.169500       3.358700      0.9077000    
 H  -0.4650000     -0.8899000      -1.648900    
 H   -2.043200      -1.643000      -1.834900    
 H    2.524800      -2.260000       1.889100    
 H    3.180100      -3.372500      0.7337000    
 H    3.672800      -1.484100     -0.8459000    
 H    4.469900      -1.302500      0.7330000    
 H    1.725800       2.072300      0.1741000    
 H   0.9798000      -1.072200       2.430600    
 H  -2.1100000E-02  1.7700000E-02   1.484200    
 H  -0.7549000      -1.297200       2.421900    
 H    4.084400       3.644200     -0.9818000    
 H    2.769600       2.918400      -1.913800    
 H    2.424800       4.233700     -0.7765000    
 H    2.999700       2.152900       2.325600    
 H    4.260500       3.125500       1.562300    
 H    2.625800       3.789100       1.757000    
 H   -1.521200      -3.702300       1.136900    
 H   -3.468900      -1.025000      0.6941000    
 H    2.540300      -3.836700      -1.401600    
 H  -0.6620000      0.8749000      -2.674100    
 H  -0.5549000       2.510700      -2.151800    
 H   -4.314500       4.111000      0.1261000    
 H   -5.154800       3.066800       1.284500    
 H   -3.601100       3.808100       1.727300    


%chk=000002395-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002395

0 1
S 1.133738 -3.136094 -1.693867
O 2.738024 0.338101 0.730959
O 2.849773 1.597226 -1.229645
O -3.117116 -4.056781 -0.015591
N -1.281686 -2.580114 -0.056850
N -1.247250 2.030287 -0.883286
N -3.355499 1.500015 0.210787
N 0.068792 0.409959 -1.929884
C -0.051562 -2.191971 0.619543
C -1.882441 -1.760808 -1.159720
C 2.523816 -2.102248 0.588087
C 1.154032 -2.402539 0.012234
C 3.233427 -0.863721 0.006621
C 2.293734 2.698692 0.931219
C -2.029757 -0.290559 -0.827614
C -0.244226 -1.565900 1.987496
C 2.640830 1.539190 0.005422
C -1.066861 0.705911 -1.214536
C 1.694264 3.878299 0.139034
C 3.573896 3.112064 1.716627
C -1.997691 -3.676168 0.423924
C -3.152992 0.186625 -0.128052
C -2.373163 2.370900 -0.188935
C -2.555407 3.830380 0.149926
H -1.296184 -1.906647 -2.086534
H -2.873507 -2.219067 -1.332340
H 2.459378 -1.979208 1.682483
H 3.179398 -2.980045 0.416672
H 3.060235 -0.730173 -1.075765
H 4.321701 -0.919460 0.192443
H 1.554617 2.318524 1.662207
H 0.695745 -1.208873 2.433946
H -0.930082 -0.703053 1.902974
H -0.716506 -2.284854 2.684954
H 2.405329 4.234260 -0.627281
H 0.759034 3.580700 -0.367137
H 1.476092 4.715507 0.826828
H 3.985398 2.265193 2.292823
H 4.352325 3.484486 1.026084
H 3.324650 3.925826 2.420255
H -1.460118 -4.201940 1.243313
H -3.938438 -0.514241 0.182901
H 2.508650 -3.227626 -1.832610
H 0.338261 -0.549693 -2.145627
H 0.735423 1.160636 -2.117479
H -2.741531 4.416032 -0.769297
H -3.411004 3.952109 0.830403
H -1.640842 4.240661 0.612889


