%chk=000035849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035849

0 1
 S    1.671700       2.344700      -1.374800    
 O  -0.7180000      -2.056600      -2.209000    
 O   -3.180500       2.318500       1.113800    
 O   -3.058900      -2.493200      -1.205700    
 N  -0.8505000       2.958800      0.2144000    
 C    6.059800      -1.068700       1.044800    
 C    4.980200     -0.2296000      0.4496000    
 C    7.221300      -1.458400      7.1300000E-02
 C    6.747900     -0.3407000       2.241100    
 C    5.495300      -2.421300       1.579600    
 C    3.898700      0.1737000       1.232500    
 C    5.052400      0.1525000     -0.8899000    
 C   -1.947000      0.8028000     -0.2326000    
 C   -1.919900     -0.4554000     -0.8377000    
 C  -0.8612000       1.673600     -0.3835000    
 C   -4.253600      0.2959000      0.7187000    
 C   -4.226600     -0.9625000      0.1135000    
 C    2.963500       1.339900     -0.6625000    
 C   0.2460000       1.283300      -1.137600    
 C   -3.114800       1.224500      0.5675000    
 C    2.889300      0.9591000      0.6759000    
 C    4.043100      0.9380000      -1.446600    
 C   -3.058600      -1.384000     -0.6865000    
 C  -0.8069000     -0.8431000      -1.593400    
 C   0.2731000      2.7700000E-02  -1.741200    
 C   -5.366600      0.6835000       1.474400    
 C   -5.312600      -1.833200      0.2642000    
 C   -6.446800     -0.1871000       1.621800    
 C   -6.419700      -1.442900       1.018000    
 H    7.973700      -2.073000      0.5803000    
 H    6.853100      -2.043100     -0.7798000    
 H    7.738800     -0.5713000     -0.3121000    
 H    6.044000     -0.1358000       3.055100    
 H    7.560800     -0.9445000       2.661100    
 H    7.171800      0.6186000       1.921100    
 H    6.292200      -3.051100       1.991600    
 H    4.758200      -2.270800       2.376000    
 H    5.003800      -2.982700      0.7762000    
 H    3.817800     -0.1083000       2.278400    
 H    5.869500     -0.1329000      -1.543200    
 H    2.059100       1.267000       1.306700    
 H    4.115000       1.226000      -2.492500    
 H    1.128500     -0.2810000      -2.338900    
 H   -5.414900       1.656300       1.956300    
 H   -5.317600      -2.817700     -0.1958000    
 H  -4.5200001E-02   3.557900      8.6599998E-02
 H   -1.626900       3.285000      0.7710000    
 H   -7.310000      0.1142000       2.208100    
 H   -7.262000      -2.118800       1.134400    
 H   0.1318000      -2.125300      -2.676400    


%chk=000035849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035849

0 1
S 1.594827 2.352485 -0.716483
O -0.648212 -2.373212 -1.240301
O -3.678315 2.609550 0.704432
O -3.211875 -2.713539 -0.723496
N -1.194064 3.042565 0.219864
C 6.540206 -1.137518 0.831674
C 5.314119 -0.291724 0.415972
C 7.638689 -1.162357 -0.261802
C 7.157740 -0.539710 2.132573
C 6.085728 -2.603887 1.104460
C 4.215030 -0.153150 1.312210
C 5.223664 0.371683 -0.833527
C -2.230199 0.831403 -0.092113
C -2.099788 -0.563457 -0.462962
C -1.092471 1.722500 -0.144341
C -4.696528 0.459421 0.429842
C -4.577235 -0.907065 0.061342
C 3.017884 1.262411 -0.272621
C 0.171284 1.189290 -0.587483
C -3.525236 1.369394 0.362084
C 3.084257 0.620050 0.986074
C 4.085883 1.137592 -1.184343
C -3.273475 -1.481824 -0.402981
C -0.824660 -1.035861 -0.877989
C 0.287299 -0.150816 -0.945374
C -5.947669 0.967666 0.866181
C -5.712189 -1.753485 0.132343
C -7.069436 0.120967 0.934899
C -6.951146 -1.245234 0.566443
H 8.490141 -1.775099 0.085766
H 7.271173 -1.607649 -1.204962
H 8.024574 -0.149339 -0.479930
H 6.432915 -0.534259 2.966068
H 8.031276 -1.140252 2.447994
H 7.493572 0.500326 1.967823
H 6.949947 -3.215726 1.423724
H 5.322389 -2.654868 1.901341
H 5.657029 -3.060398 0.193490
H 4.243148 -0.645418 2.291047
H 6.040196 0.295926 -1.557032
H 2.259163 0.722758 1.698494
H 4.032261 1.631053 -2.160421
H 1.259873 -0.530854 -1.283372
H -6.006295 2.024814 1.141747
H -5.588329 -2.801139 -0.158967
H -0.359827 3.627791 0.257371
H -2.133550 3.356026 0.525858
H -8.034282 0.515243 1.271871
H -7.825255 -1.903373 0.619818
H 0.297365 -2.531200 -1.498005


