%chk=000162326.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162326

1 1
 S    1.201600       2.436400      -1.066400    
 P  -0.5514000       2.027600      1.1200000E-02
 O   -1.078700      0.5283000     -0.2788000    
 O  -0.3351000       2.261100       1.483100    
 N    3.120600     -0.9935000      7.4800000E-02
 C   -2.683800      -1.334100     -0.2782000    
 C   -2.302000      6.3199997E-02  0.2967000    
 C    2.072200     -0.1273000     -0.5172000    
 C   -2.765000      -1.281100      -1.815200    
 C   -1.594400      -2.356100      0.1121000    
 C   -4.030100      -1.843100      0.2701000    
 C    2.451900       1.337100     -0.3724000    
 C    3.360300     -0.6317000       1.547500    
 C    2.709600      -2.471200      8.1000002E-03
 C    4.449600     -0.8342000     -0.6770000    
 C   -2.165500      0.1367000       1.815800    
 C   -1.859800       3.082000     -0.6143000    
 H   -3.099800      0.7521000     -3.0000000E-03
 H    1.946400     -0.4130000      -1.568700    
 H    1.148400     -0.3525000      2.0500001E-02
 H   -1.806900     -0.9918000      -2.260800    
 H   -3.038900      -2.256400      -2.233700    
 H   -3.518400     -0.5554000      -2.141100    
 H  -0.6138000      -2.067200     -0.2797000    
 H   -1.826100      -3.347600     -0.2946000    
 H   -1.506600      -2.464900       1.198200    
 H   -4.823900      -1.107900      9.7800002E-02
 H   -3.989500      -2.052400       1.343200    
 H   -4.329600      -2.774900     -0.2238000    
 H    2.557700       1.640600      0.6713000    
 H    3.381400       1.577000     -0.8930000    
 H    2.392900     -0.5940000       2.056800    
 H    3.888000      0.3227000       1.615200    
 H    3.988100      -1.411900       1.990100    
 H    2.544800      -2.730800      -1.041700    
 H    3.512800      -3.080000      0.4335000    
 H    1.788700      -2.594800      0.5853000    
 H    5.143100      -1.595700     -0.3062000    
 H    4.870500      0.1547000     -0.4823000    
 H    4.261400     -0.9824000      -1.744300    
 H   -2.298500       1.163400       2.169100    
 H   -2.935500     -0.4434000       2.329800    
 H   -1.184900     -0.2142000       2.154100    
 H   -2.771100       2.980400     -1.9400001E-02
 H   -1.549900       4.130200     -0.5710000    
 H   -2.090100       2.833200      -1.654000    


%chk=000162326-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162326

1 1
S 0.941340 1.123481 -2.122241
P -0.354141 1.272085 -0.189817
O -1.326410 -0.123611 -0.457589
O 0.611907 1.259860 1.099472
N 3.809618 -0.605427 0.474442
C -3.502108 -1.258180 -0.485100
C -2.542146 -0.420448 0.414346
C 2.697543 -0.422702 -0.600335
C -3.911801 -0.403332 -1.714868
C -2.826040 -2.567826 -0.965519
C -4.774410 -1.589498 0.344767
C 2.565694 1.002858 -1.152886
C 3.618286 0.394382 1.624916
C 3.675146 -2.022638 1.030063
C 5.191778 -0.434315 -0.144445
C -2.055550 -1.067796 1.716442
C -1.425900 2.786258 -0.357787
H -3.044093 0.546888 0.638427
H 2.914610 -1.144809 -1.406960
H 1.761046 -0.713460 -0.098254
H -3.035275 -0.153093 -2.336922
H -4.628197 -0.961149 -2.343799
H -4.406555 0.537751 -1.403748
H -1.898137 -2.351005 -1.522758
H -3.511585 -3.115128 -1.637163
H -2.582423 -3.241056 -0.123404
H -5.248374 -0.676598 0.753722
H -4.557707 -2.274436 1.183407
H -5.517195 -2.086153 -0.304631
H 2.514013 1.750042 -0.346895
H 3.348155 1.273610 -1.879666
H 2.539606 0.502964 1.828691
H 4.030020 1.370330 1.329484
H 4.163197 0.018627 2.504518
H 3.699573 -2.743679 0.198543
H 4.508505 -2.220203 1.721659
H 2.717892 -2.102618 1.566909
H 5.952886 -0.531904 0.645078
H 5.264347 0.563210 -0.601743
H 5.345374 -1.209875 -0.910786
H -1.354386 -0.398513 2.246461
H -2.907103 -1.265205 2.390063
H -1.542621 -2.023245 1.516012
H -2.097959 2.864823 0.511967
H -0.770710 3.669976 -0.396079
H -2.009012 2.713955 -1.288494


