%chk=000093368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093368

0 1
 S   -2.818100       3.751500      7.5900003E-02
 S   -2.351700      -4.142900      9.1499999E-02
 O    2.250900       2.432900     -0.5814000    
 O    2.548800      -2.216000     -0.5782000    
 O   -3.299600       3.834300       1.634400    
 O   -2.334600      -4.510500       1.684300    
 O   -1.909600       4.863200     -0.1515000    
 O   -3.995100       3.566800     -0.7552000    
 O   -3.746300      -3.981200     -0.2922000    
 O   -1.497100      -5.094500     -0.6010000    
 O    4.193600      0.2255000       1.516000    
 N    2.411600      0.1092000     -0.5812000    
 N   -3.898200      0.9541000      0.2466000    
 N    3.778400      0.1967000     -0.7629000    
 N    5.929000      0.3362000     -2.2800000E-02
 N    6.901300      0.4004000      0.9534000    
 C  -0.3276000     -6.6200003E-02 -0.2171000    
 C   -1.729000     -0.1560000     -3.0500000E-02
 C   0.2639000       1.206700     -0.3076000    
 C   0.4218000      -1.253300     -0.3050000    
 C   -2.492600       1.018200      5.9400000E-02
 C   -1.887300       2.270300     -3.3100002E-02
 C  -0.5114000       2.368400     -0.2163000    
 C   -2.336200      -1.418000      6.2600002E-02
 C   -1.575700      -2.582500     -2.6900001E-02
 C  -0.1986000      -2.504300     -0.2105000    
 C    1.727800       1.324600     -0.5022000    
 C    1.888800      -1.183500     -0.4998000    
 C    4.592800      0.2500000      0.3514000    
 H  -2.8600000E-02   3.338600     -0.2869000    
 H   -3.403700      -1.528900      0.2171000    
 H   0.3950000      -3.412300     -0.2715000    
 H   -4.439000       1.802600      0.3391000    
 H   -4.397400      8.0200002E-02  0.2994000    
 H    4.122100      0.2179000      -1.716700    
 H   -2.573500       3.889300       2.299300    
 H   -2.831100      -3.888900       2.267000    
 H    6.214700      0.3537000     -0.9961000    
 H    7.541900     -0.3740000      0.7843000    
 H    7.436700       1.250600      0.7822000    


%chk=000093368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093368

0 1
S -2.878924 3.923675 0.014455
S -2.278182 -4.216304 0.205318
O 2.264272 2.565980 -0.850401
O 2.668280 -2.084139 -0.745812
O -2.584105 4.165274 1.826131
O -1.801563 -4.429692 1.981297
O -2.140922 5.104507 -0.796894
O -4.475628 3.665539 -0.203761
O -3.882831 -4.032922 0.096376
O -1.503532 -5.326222 -0.675914
O 4.188176 -0.263770 1.361029
N 2.436458 0.248678 -0.722115
N -3.968999 0.981733 0.237045
N 3.823586 0.389646 -0.899951
N 5.995039 0.138012 -0.087813
N 6.999556 -0.118220 0.876626
C -0.360312 0.006849 -0.273289
C -1.777965 -0.125082 -0.040933
C 0.230704 1.300573 -0.441149
C 0.457729 -1.167802 -0.361662
C -2.622360 1.070461 0.039221
C -1.951960 2.317984 -0.127920
C -0.571720 2.444316 -0.357914
C -2.328612 -1.427761 0.112466
C -1.482880 -2.529674 0.022521
C -0.098123 -2.446102 -0.208700
C 1.677168 1.458780 -0.670864
C 1.925970 -1.078197 -0.623751
C 4.641914 0.064637 0.235388
H -0.110628 3.430944 -0.484251
H -3.394759 -1.613935 0.282310
H 0.544578 -3.329288 -0.285937
H -4.541540 1.841061 0.193490
H -4.430931 0.085336 0.368099
H 4.048086 1.240250 -1.431550
H -2.913397 5.078458 2.075430
H -1.974787 -5.382727 2.236857
H 6.298175 0.102619 -1.062200
H 6.813690 -0.996898 1.379988
H 7.098380 0.672323 1.526034


