%chk=000133307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133307

1 1
 S  -0.8179000       3.751800      0.7077000    
 P    3.386500      0.3075000       1.542800    
 O    2.624200       1.367300      0.5848000    
 O    3.380300      -1.090800      0.7272000    
 O    4.939100      0.7635000       1.468200    
 O    2.854600      0.2214000       2.945200    
 O    2.367500      -1.835500      -3.160100    
 N   -1.452200       1.963200     -0.9299000    
 N   -3.623700     -0.8672000       1.287000    
 N   -5.387800     -0.5226000     -0.3182000    
 N   -1.438200     -5.5300001E-02  0.8532000    
 N    3.824300     -0.8523000      -1.686900    
 C  -9.3400002E-02   2.113700      -1.096000    
 C   0.3979000       3.061800     -0.2653000    
 C   -2.247800       1.022900      -1.682600    
 C    1.821200       3.544300     -0.1159000    
 C   -1.993700       2.746500     -2.2200000E-02
 C    2.591100       2.741600      0.9293000    
 C   -3.183300      0.2960000     -0.7557000    
 C   0.5850000       1.273600      -2.093900    
 C   -2.787700     -0.2149000      0.4526000    
 C   -4.497600      0.1190000      -1.103200    
 C   -4.890700     -0.9833000      0.8455000    
 C    2.270600      -1.832100      0.4504000    
 C    1.903400      -2.106900     -0.8670000    
 C   -5.844900      -1.698500       1.740600    
 C    1.499000      -2.319400       1.505500    
 C   0.7648000      -2.868800      -1.129100    
 C   0.3607000      -3.081500       1.243300    
 C  -6.6000000E-03  -3.356200     -7.3899999E-02
 C    2.695300      -1.608900      -1.983100    
 H   -2.803500       1.594200      -2.437100    
 H   -1.657300      0.2713000      -2.211600    
 H    2.326500       3.456000      -1.085300    
 H    1.840800       4.608100      0.1501000    
 H   -3.045000       2.789600      0.2268000    
 H    2.127100       2.843700       1.916400    
 H    3.617700       3.116500      0.9941000    
 H    1.656700       1.488200      -2.143500    
 H   0.1801000       1.449300      -3.095900    
 H   0.4825000      0.2149000      -1.850700    
 H   -4.900900      0.4876000      -2.040500    
 H  -0.7251000     -0.1832000      0.1458000    
 H   -1.213500     -0.4134000       1.774600    
 H   -6.549000     -0.9847000       2.178300    
 H   -6.407600      -2.446900       1.174200    
 H   -5.319300      -2.210200       2.553000    
 H    1.778500      -2.128800       2.537000    
 H    5.244000       1.502400       2.036500    
 H   0.4551000      -3.096400      -2.145600    
 H  -0.2392000      -3.462400       2.064700    
 H  -0.8940000      -3.948300     -0.2776000    
 H    4.389100     -0.4784000      -2.443000    
 H    4.165400     -0.6520000     -0.7569000    


%chk=000133307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133307

1 1
S -0.679141 2.013472 2.000816
P 4.718425 0.670797 0.155566
O 3.248309 1.589396 0.137569
O 4.091052 -0.943344 -0.045932
O 5.279820 0.825145 -1.443222
O 5.701877 0.976816 1.358788
O 0.098656 -1.422332 -1.275362
N -1.304420 1.360257 -0.419014
N -4.890848 -1.569564 -0.517939
N -5.849330 0.570212 -1.175505
N -2.601292 -1.996170 -0.573600
N 2.289774 -1.490534 -1.991101
C -0.052905 2.022531 -0.568172
C 0.443735 2.474190 0.644068
C -2.071245 0.795959 -1.617304
C 1.695636 3.258190 0.937730
C -1.753360 1.262497 0.841114
C 2.910548 2.403630 1.340050
C -3.418769 0.240033 -1.261159
C 0.573860 2.172269 -1.924021
C -3.620434 -1.106990 -0.791995
C -4.592315 1.011655 -1.440493
C -5.944247 -0.729536 -0.710867
C 3.124481 -1.440147 0.886517
C 1.815319 -1.731203 0.416550
C -7.325596 -1.247728 -0.422070
C 3.507829 -1.659272 2.224328
C 0.883525 -2.246603 1.356027
C 2.562481 -2.183205 3.133137
C 1.247502 -2.473767 2.698438
C 1.350067 -1.531230 -1.001554
H -2.170380 1.637440 -2.325122
H -1.398781 0.036672 -2.055862
H 1.965968 3.857796 0.050828
H 1.509549 3.979379 1.756106
H -2.692574 0.783510 1.105427
H 2.684048 1.732661 2.188952
H 3.763676 3.051494 1.608774
H 1.607847 2.531572 -1.824571
H 0.011173 2.878682 -2.561743
H 0.615637 1.198564 -2.441705
H -4.517789 2.038342 -1.826584
H -1.615490 -1.815013 -0.820685
H -2.889664 -2.939574 -0.309316
H -7.880508 -0.529431 0.205481
H -7.894560 -1.345668 -1.365118
H -7.277530 -2.228812 0.071568
H 4.532210 -1.435433 2.539601
H 6.203727 1.174166 -1.534180
H -0.129183 -2.472656 1.008520
H 2.856631 -2.370913 4.170491
H 0.517215 -2.888377 3.399875
H 1.979817 -1.432097 -2.961910
H 3.289064 -1.500725 -1.766116


