%chk=000153051.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153051

0 1
 S    4.033000     -0.1380000       1.136300    
 O    4.855600      0.9796000       1.587500    
 O    3.833000      -1.263100       2.043600    
 O   -5.823200      -1.113900     -0.3196000    
 N    4.675000     -0.7338000     -0.3561000    
 N   -1.259400       2.005200     -0.4017000    
 N  -0.9604000      -2.002900      0.7872000    
 C    2.466500      0.4841000      0.6846000    
 C   8.3400004E-02  0.1588000      0.3576000    
 C    1.346100     -0.3407000      0.7212000    
 C    3.915500      -1.803500      -1.051800    
 C    5.233400      0.2601000      -1.307900    
 C  -6.3600004E-02   1.496300     -4.7300000E-02
 C   -1.061500     -0.6439000      0.3838000    
 C   -2.305500     -0.1208000      1.6799999E-02
 C    2.329000       1.807300      0.2854000    
 C    1.072600       2.300500     -7.5199999E-02
 C   -2.359200       1.227700     -0.3748000    
 C    4.866900      -2.666400      -1.855600    
 C    6.702600      0.4830000      -1.011300    
 C   -3.472400     -0.9044000      3.3799998E-02
 C   -3.594800       1.754400     -0.7412000    
 C   -4.695600     -0.3538000     -0.3372000    
 C   -4.756400      0.9784000     -0.7254000    
 C   -7.055400     -0.4435000     -5.6200001E-02
 C   -8.005300      -1.406600      0.6233000    
 H    1.488300      -1.369100       1.032900    
 H    3.417500      -2.443600     -0.3162000    
 H    3.147100      -1.369600      -1.700600    
 H    5.110500     -4.4000000E-02  -2.351100    
 H    4.696100       1.209300      -1.223000    
 H    3.181900       2.478900      0.2460000    
 H   0.9906000       3.341000     -0.3844000    
 H    5.318700      -2.134800      -2.697300    
 H    5.678900      -3.046800      -1.226400    
 H    4.330200      -3.527000      -2.268600    
 H    7.125200       1.205900      -1.716400    
 H    6.867500      0.8661000     -7.9999998E-04
 H    7.264700     -0.4520000      -1.107200    
 H   -3.478200      -1.948600      0.3290000    
 H   -3.667000       2.794400      -1.054800    
 H  -8.0700003E-02  -2.414000       1.058100    
 H   -1.766000      -2.608500      0.8160000    
 H   -5.680100       1.448400      -1.049900    
 H   -6.918300      0.4129000      0.6160000    
 H   -7.488100     -0.1014000      -1.002800    
 H   -8.966400     -0.9280000      0.8310000    
 H   -8.177900      -2.286100     -5.7999999E-03
 H   -7.579600      -1.768200       1.565200    


%chk=000153051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153051

0 1
S 4.119436 -0.107959 1.179928
O 4.985617 1.162635 1.718118
O 3.855158 -1.446067 2.070290
O -6.015784 -1.061518 0.234486
N 5.054421 -0.729194 -0.370181
N -1.334026 1.998745 -0.444618
N -1.079500 -1.903922 1.317369
C 2.411113 0.540008 0.690486
C 0.015996 0.146452 0.538507
C 1.330180 -0.302186 0.894111
C 4.188231 -1.702047 -1.096449
C 5.612215 0.411087 -1.156390
C -0.135392 1.475660 -0.049461
C -1.161215 -0.653470 0.740008
C -2.432866 -0.117378 0.322603
C 2.301338 1.856298 0.149855
C 1.036185 2.301228 -0.215572
C -2.449189 1.213933 -0.265642
C 5.026229 -2.583160 -2.043602
C 7.092321 0.160922 -1.514124
C -3.663378 -0.830702 0.464983
C -3.712320 1.755115 -0.681680
C -4.874357 -0.269036 0.047088
C -4.899639 1.045171 -0.535398
C -7.327416 -0.512103 -0.172772
C -8.368757 -1.579467 0.150794
H 1.526583 -1.281929 1.346752
H 3.719318 -2.346287 -0.329971
H 3.380461 -1.193169 -1.672676
H 5.001923 0.599455 -2.066854
H 5.570494 1.315130 -0.518405
H 3.185187 2.495549 0.064931
H 0.877030 3.299903 -0.632816
H 5.454272 -1.998866 -2.876122
H 5.849122 -3.067464 -1.491241
H 4.380385 -3.367955 -2.478500
H 7.496973 1.033261 -2.061362
H 7.679734 0.019525 -0.591633
H 7.220328 -0.734797 -2.143819
H -3.714522 -1.835175 0.899025
H -3.698058 2.757915 -1.118813
H -0.196657 -2.273528 1.657895
H -1.910708 -2.467112 1.468985
H -5.842108 1.492881 -0.863128
H -7.524539 0.424721 0.387173
H -7.311491 -0.283237 -1.257896
H -9.375877 -1.223344 -0.132275
H -8.158205 -2.510032 -0.403081
H -8.369444 -1.809191 1.229793


