%chk=000076059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076059

0 1
 S   0.6355000     -9.7000003E-02 -0.8296000    
 O   0.9949000      -1.341400      -1.488300    
 O   0.9148000       1.176400      -1.471700    
 O   -5.154500     -0.3675000      0.2657000    
 N   -3.917800       2.148000      1.6200000E-02
 C    1.373200     -6.8000004E-02  0.7723000    
 C   -1.100700     -0.1709000     -0.5019000    
 C    2.852700     -5.2000000E-03  0.5950000    
 C   -1.815300       1.007400     -0.3741000    
 C   -1.712200      -1.406400     -0.3785000    
 C   -3.184700      0.9483000     -0.1151000    
 C   -3.817700     -0.2881000      1.2200000E-02
 C   -3.081500      -1.465400     -0.1195000    
 C    3.493500       1.231200      0.5138000    
 C    3.595900      -1.182700      0.5110000    
 C    4.877300       1.290100      0.3484000    
 C    4.979700      -1.123700      0.3456000    
 C    5.620300      0.1128000      0.2643000    
 C   -5.553400     -0.3977000       1.634400    
 H   0.9980000      0.8041000       1.317100    
 H    1.072800     -0.9703000       1.314400    
 H   -1.325900       1.973300     -0.4647000    
 H   -1.155200      -2.333700     -0.4694000    
 H   -3.567700      -2.432200     -2.0300001E-02
 H    2.926800       2.156200      0.5789000    
 H    3.109300      -2.152500      0.5735000    
 H    5.376200       2.252700      0.2851000    
 H    5.558400      -2.040400      0.2801000    
 H    6.697700      0.1586000      0.1355000    
 H   -3.451900       3.040300     -8.0799997E-02
 H   -4.913800       2.113800      0.1880000    
 H   -6.645800     -0.4232000       1.672100    
 H   -5.206400      0.4964000       2.161700    
 H   -5.165600      -1.296100       2.125000    


%chk=000076059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076059

0 1
S 0.601981 -0.165042 -0.793678
O 0.916120 -1.685975 -1.317600
O 0.899549 1.156502 -1.717966
O -5.230569 0.223854 0.783971
N -3.936927 2.419369 0.028233
C 1.625561 0.082163 0.936094
C -1.210648 -0.094917 -0.270358
C 3.080957 0.067971 0.651819
C -1.846118 1.157368 -0.318216
C -1.841491 -1.288744 0.101205
C -3.213280 1.236713 0.046473
C -3.878482 0.026439 0.447694
C -3.208978 -1.211419 0.468196
C 3.767178 1.275182 0.346585
C 3.798131 -1.159748 0.639769
C 5.147655 1.256691 0.058610
C 5.178294 -1.175741 0.350854
C 5.857074 0.032290 0.063510
C -6.014470 -0.952390 1.166856
H 1.219071 1.043056 1.284881
H 1.247788 -0.769275 1.521295
H -1.298290 2.037285 -0.674051
H -1.306852 -2.242152 0.065575
H -3.736630 -2.124274 0.759060
H 3.213133 2.220355 0.325416
H 3.267494 -2.096435 0.843842
H 5.669146 2.191008 -0.175998
H 5.723402 -2.125834 0.342094
H 6.929485 0.018897 -0.161298
H -3.514753 3.288273 -0.283037
H -4.920503 2.396716 0.284366
H -7.026889 -0.573877 1.369458
H -5.602255 -1.425333 2.078734
H -6.047984 -1.691777 0.344015


