%chk=000086533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086533

0 1
 S   -1.312000      -3.032500      0.1972000    
 S    1.344600       3.087700     -4.9800001E-02
 O  -0.6503000      -2.678900       1.647900    
 O   0.6699000       2.827200      -1.514100    
 O   -2.166600      -4.192900      0.3875000    
 O  -0.2527000      -3.040200     -0.7968000    
 O   0.2690000       3.065100      0.9278000    
 O    2.234000       4.231500     -0.1551000    
 N   -5.977200     -0.9816000     -0.4128000    
 N    5.982800      0.9395000      0.4137000    
 N   -6.741300       1.147000      0.2066000    
 N    6.713600      -1.161300     -0.3284000    
 N   -8.286800     -0.6455000     -0.1894000    
 N    8.286400      0.5833000      0.1620000    
 N   -9.099700       1.521900      0.4426000    
 N    9.065300      -1.555800     -0.5963000    
 C   -1.832500     -0.4160000     -0.4943000    
 C    1.814900      0.4263000      0.4879000    
 C   -2.343200      -1.665200     -0.1763000    
 C    2.357800       1.686800      0.2384000    
 C  -0.3800000     -0.1710000     -0.5349000    
 C   0.3752000      0.2024000      0.5230000    
 C   -3.724900      -1.854200     -0.1493000    
 C    3.742100       1.857300      0.2136000    
 C   -4.580000     -0.7913000     -0.4406000    
 C    4.583200      0.7674000      0.4382000    
 C   -2.671600      0.6495000     -0.7859000    
 C    2.656000     -0.6635000      0.7126000    
 C   -4.053300      0.4605000     -0.7590000    
 C    4.040000     -0.4930000      0.6876000    
 C   -7.051700     -0.1200000     -0.1181000    
 C    7.043500      8.0399998E-02  6.6399999E-02
 C   -7.814300       1.909000      0.4736000    
 C    7.774300      -1.922000     -0.6437000    
 C   -9.259600      0.2325000      0.1033000    
 C    9.245200     -0.2904000     -0.1849000    
 H   7.9999998E-02 -0.3046000      -1.511600    
 H  -8.9299999E-02  0.3325000       1.498000    
 H   -4.158000      -2.819300      9.9600002E-02
 H    4.189900       2.827700      1.7300000E-02
 H   -2.278600       1.629100      -1.043500    
 H    2.250000      -1.651300      0.9184000    
 H   -4.679000       1.303100      -1.033800    
 H    4.654900      -1.358500      0.9105000    
 H   -6.270300      -1.948400     -0.5171000    
 H    6.290200       1.894700      0.5708000    
 H   -1.290900      -2.563100       2.388500    
 H  -0.1258000       2.248600      -1.525400    
 H   -7.623200       2.940700      0.7413000    
 H    7.567300      -2.933900     -0.9688000    
 H   -10.27660     -0.1369000      6.1700001E-02
 H    10.26770      6.1400000E-02 -0.1269000    


%chk=000086533-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086533

0 1
S -1.660008 -3.547451 -0.093437
S 1.600846 3.527034 0.110709
O -1.104041 -3.551159 1.683625
O 1.044192 3.531447 -1.665785
O -2.744736 -4.727173 -0.319612
O -0.330655 -3.509909 -1.017182
O 0.271805 3.488516 1.034717
O 2.685161 4.707303 0.336752
N -6.147956 -1.012944 -0.041041
N 6.090534 0.995661 0.057908
N -6.929188 1.260073 0.043126
N 6.873469 -1.276927 -0.022468
N -8.436705 -0.659403 -0.084128
N 8.379498 0.643832 0.102698
N -9.341958 1.596262 -0.003175
N 9.286456 -1.611276 0.025696
C -1.851542 -0.663967 0.070972
C 1.794358 0.643509 -0.053929
C -2.562244 -1.891706 0.002369
C 2.504202 1.871764 0.014658
C -0.389119 -0.581467 0.124674
C 0.332132 0.560042 -0.107744
C -3.953739 -2.019410 -0.031800
C 3.895599 2.000526 0.048882
C -4.745695 -0.842888 -0.000388
C 4.688413 0.824594 0.017599
C -2.694278 0.491275 0.115192
C 2.638001 -0.511135 -0.097777
C -4.093801 0.420537 0.080095
C 4.037427 -0.439359 -0.062637
C -7.173935 -0.091515 -0.025528
C 7.117192 0.074932 0.044234
C -8.050023 2.036356 0.050618
C 7.994878 -2.052411 -0.028113
C -9.459924 0.227542 -0.069686
C 9.403387 -0.242377 0.090156
H 0.138735 -1.506537 0.375407
H -0.196414 1.484693 -0.358549
H -4.402923 -3.017945 -0.093172
H 4.343931 2.999441 0.110279
H -2.226148 1.475319 0.217037
H 2.170535 -1.495509 -0.199450
H -4.703847 1.324289 0.123649
H 4.648216 -1.342635 -0.105763
H -6.498747 -1.975174 -0.092619
H 6.440683 1.958201 0.108162
H -0.625269 -4.415443 1.848952
H 0.562828 4.394637 -1.829447
H -7.895367 3.117961 0.105030
H 7.841047 -3.134212 -0.080902
H -10.473821 -0.180427 -0.114782
H 10.416956 0.166415 0.135119


