%chk=000064794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064794

0 1
 S   -4.069600       1.103900      0.2404000    
 O   -3.758900       1.617000       1.556600    
 O   -5.330300       1.335400     -0.4301000    
 O   -1.078600      0.1610000      -1.992100    
 N    1.597900       2.406200      0.3588000    
 N    3.630900      0.4003000      0.3061000    
 N   -2.754100       1.388000     -0.8403000    
 N   -4.520900      -1.405800      0.9517000    
 N    4.238400      -1.838700     -0.1337000    
 N    5.922100     -0.1709000      0.3037000    
 C   0.6881000       3.368900      0.9788000    
 C    1.314300       1.047700      0.8372000    
 C    2.993900       2.756400      0.6488000    
 C  -0.7599000       3.041700      0.6149000    
 C    2.222500      2.2600001E-02  0.1535000    
 C    3.957600       1.788900     -4.2100001E-02
 C  -0.9694000       3.082400     -0.9025000    
 C   -2.395300       2.732000      -1.314400    
 C   -3.744100     -0.5988000      0.2243000    
 C   -2.671500     -0.9420000     -0.5759000    
 C   -2.035500      0.2070000      -1.241400    
 C    4.629600     -0.5680000      0.1540000    
 C   -2.329600      -2.274000     -0.6594000    
 C   -3.096300      -3.183700      7.4699998E-02
 C   -4.162100      -2.708000      0.8509000    
 C   -1.194700      -2.762600      -1.488900    
 C   -4.977400      -3.684300       1.633300    
 C    5.226900      -2.746200     -0.2742000    
 C    6.858700      -1.129600      0.1498000    
 C    6.567300      -2.446500     -0.1422000    
 H   0.7962000       3.377900       2.071000    
 H   0.9188000       4.381100      0.6233000    
 H   0.2960000      0.7260000      0.6078000    
 H    1.442500      0.9844000       1.926300    
 H    3.178800       2.748500       1.731600    
 H    3.209400       3.769500      0.2880000    
 H   -1.400900       3.809000       1.069200    
 H   -1.088900       2.100200       1.060400    
 H    2.023800     -0.9530000      0.6143000    
 H    1.975900     -5.5100001E-02 -0.9131000    
 H    3.905100       1.912100      -1.131400    
 H    4.972300       2.060600      0.2712000    
 H  -0.7461000       4.093300      -1.266800    
 H  -0.2667000       2.417500      -1.413300    
 H   -3.094100       3.469200     -0.9036000    
 H   -2.496100       2.766000      -2.404700    
 H   -2.873500      -4.246900      4.7800001E-02
 H   -1.081100      -3.850100      -1.422000    
 H   -1.356600      -2.517000      -2.543500    
 H  -0.2533000      -2.316500      -1.151600    
 H   -5.446700      -4.411200      0.9629000    
 H   -4.346800      -4.215500       2.353200    
 H   -5.771600      -3.176400       2.190100    
 H    4.900600      -3.755000     -0.5033000    
 H    7.884600     -0.7990000      0.2718000    
 H    7.339300      -3.194900     -0.2601000    


%chk=000064794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064794

0 1
S -3.282261 0.893402 1.051167
O -2.169308 1.138482 2.208460
O -4.766211 1.505219 1.266931
O -2.009290 0.658795 -2.745459
N 1.545394 2.394780 0.221826
N 3.237236 0.075079 0.233792
N -2.626509 1.480758 -0.644901
N -3.537954 -1.943141 1.098309
N 3.908770 -1.763924 1.558099
N 5.498068 -0.596885 0.091161
C 0.953274 3.703264 0.601003
C 1.387731 1.353455 1.270956
C 2.967345 2.497252 -0.189997
C -0.591190 3.686966 0.539725
C 1.855657 -0.016815 0.744648
C 3.462513 1.149766 -0.751768
C -1.114898 3.477686 -0.898979
C -2.553733 2.917930 -0.977096
C -3.188758 -0.915800 0.354028
C -2.684998 -0.889348 -0.955778
C -2.392977 0.454980 -1.554267
C 4.237465 -0.780894 0.637551
C -2.524702 -2.161633 -1.580732
C -2.894154 -3.296686 -0.806695
C -3.396016 -3.187143 0.515519
C -1.991352 -2.312388 -2.985798
C -3.792411 -4.376468 1.350012
C 4.913710 -2.593747 1.938179
C 6.465794 -1.454448 0.504159
C 6.234449 -2.491046 1.439791
H 1.280737 4.022368 1.622704
H 1.337789 4.461862 -0.109698
H 0.326613 1.276101 1.564439
H 1.977460 1.613766 2.187011
H 3.627841 2.799493 0.662956
H 3.055517 3.267560 -0.978636
H -0.973291 4.642486 0.952137
H -0.975164 2.893046 1.207753
H 1.830512 -0.778740 1.537806
H 1.185267 -0.331037 -0.082523
H 2.893804 0.917549 -1.675483
H 4.536888 1.182061 -0.986964
H -1.097832 4.438091 -1.452958
H -0.438651 2.784303 -1.431431
H -3.238854 3.456557 -0.294107
H -2.949634 3.024451 -2.004974
H -2.786758 -4.293635 -1.244756
H -1.928909 -3.375173 -3.272318
H -2.629846 -1.776052 -3.709282
H -0.992591 -1.851494 -3.080982
H -4.851491 -4.294593 1.653367
H -3.649081 -5.323493 0.805749
H -3.197206 -4.404911 2.280258
H 4.641205 -3.365087 2.668664
H 7.458313 -1.297281 0.064867
H 7.027577 -3.170645 1.758353


