%chk=000171758.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171758

0 1
 S  -0.8317000       1.148100      0.9121000    
 S    2.682300       3.627300     -0.9195000    
 O  -0.3688000      -2.926900      0.9002000    
 O   -2.038100      -2.148600      -1.751100    
 O   -5.201400       1.312800     -0.9273000    
 O   -5.088000     -0.7293000      7.9000004E-02
 O    2.016200      -1.324600       1.495000    
 O    4.372300      -2.238500     -0.5031000    
 O    5.302800     -0.2546000      9.0300001E-02
 N   -2.433500     -0.7161000      8.2500003E-02
 N   0.6208000      -1.082400     -0.3416000    
 C   -1.370600     -0.5924000       1.084400    
 C  -0.5849000      -1.641600      0.2858000    
 C   -3.063700      0.4854000     -0.4260000    
 C   -2.549600       1.671500      0.4181000    
 C   -1.788400      -1.648100     -0.6779000    
 C   -3.350200       1.934600       1.700900    
 C   -2.459500       2.951400     -0.4150000    
 C   -4.541600      0.2620000     -0.3816000    
 C    1.833400     -0.9724000      0.3310000    
 C  -0.1074000      -3.996400      3.5999999E-03
 C    2.935800     -0.3505000     -0.5246000    
 C    2.899000       1.153900     -0.3818000    
 C    4.324000     -0.9044000     -0.2500000    
 C    3.113500       1.810700      0.8452000    
 C    2.654100       1.991800      -1.425900    
 C    3.023400       3.177200      0.6971000    
 H   -1.697100     -0.8908000       2.084900    
 H   -2.771500      0.5821000      -1.480400    
 H   -2.866800       2.695600       2.325400    
 H   -4.354400       2.308500       1.472300    
 H   -3.469800       1.030200       2.308000    
 H   -2.006500       3.770800      0.1555000    
 H   -1.860700       2.805700      -1.321700    
 H   -3.452300       3.289200     -0.7305000    
 H   0.5771000     -0.7495000      -1.301900    
 H   0.2924000      -4.834300      0.5812000    
 H   -1.034200      -4.323800     -0.4749000    
 H   0.6310000      -3.717800     -0.7537000    
 H    2.736000     -0.5982000      -1.577800    
 H   -6.173800       1.185600     -0.9067000    
 H    3.322900       1.332900       1.793700    
 H    2.458000       1.745400      -2.460200    
 H    3.141100       3.932800       1.461000    
 H    5.271000      -2.605000     -0.3604000    


%chk=000171758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171758

0 1
S -1.020694 1.347313 0.874407
S 4.060866 3.679294 -1.321654
O -0.411935 -2.732671 0.849434
O -1.907003 -1.837633 -2.131117
O -5.670842 0.989894 -0.821715
O -5.307686 -0.818942 0.598052
O 1.698135 -0.315099 1.433648
O 3.831106 -2.504666 -0.471320
O 5.162856 -0.878744 0.528270
N -2.484600 -0.670264 -0.076667
N 0.704660 -1.068555 -0.531753
C -1.389254 -0.502482 0.931930
C -0.531617 -1.513592 0.085312
C -3.384057 0.446304 -0.362657
C -2.916704 1.672867 0.541918
C -1.723308 -1.449796 -0.959538
C -3.642392 1.710625 1.904311
C -3.048680 3.004644 -0.216187
C -4.853302 0.092120 -0.115945
C 1.760857 -0.538144 0.195766
C 0.080528 -3.889269 0.071654
C 3.042688 -0.244078 -0.641512
C 3.432770 1.219051 -0.583827
C 4.144569 -1.177790 -0.115864
C 3.671606 1.952046 0.642431
C 3.598966 1.996806 -1.720441
C 4.013400 3.273023 0.430495
H -1.607993 -0.851258 1.948491
H -3.285905 0.728628 -1.427914
H -3.194164 2.492155 2.539586
H -4.715087 1.950759 1.770535
H -3.569094 0.748948 2.440863
H -2.706562 3.845005 0.413062
H -2.450420 3.001063 -1.143914
H -4.106958 3.181432 -0.481867
H 0.791266 -1.195286 -1.543031
H 0.086397 -4.726122 0.785293
H -0.597298 -4.117681 -0.772702
H 1.106428 -3.706435 -0.299844
H 2.865076 -0.541545 -1.691078
H -6.627086 0.766326 -0.657379
H 3.577594 1.497705 1.630230
H 3.493334 1.710609 -2.766259
H 4.245977 4.048612 1.157295
H 4.526160 -3.115875 -0.105193


