%chk=000081000.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081000

0 1
 S   -1.428400      -4.316500      7.8400001E-02
 S   -4.842800       2.795400     -3.2200001E-02
 O   0.1918000       2.302200      8.8799998E-02
 O   -1.498100      -4.737700       1.656500    
 O   -5.158800       3.031400      -1.618800    
 O   -2.710500      -4.671200     -0.5127000    
 O  -0.1876000      -4.837500     -0.4737000    
 O   -5.941200       2.006600      0.5066000    
 O   -4.494200       4.079800      0.5548000    
 O    2.623700      -1.711300     -0.9827000    
 N    1.366000     -6.3800000E-02  0.1250000    
 N    7.260200       2.351500      0.4097000    
 C   -1.084000      0.2251000      6.6900000E-02
 C   -2.359300     -0.3877000      3.9700001E-02
 C   6.5200001E-02 -0.5817000      9.7099997E-02
 C   -1.295800      -2.575300      7.4000001E-02
 C   -2.448100      -1.789200      4.3499999E-02
 C  -0.9952000       1.626600      6.2899999E-02
 C   -3.508400      0.4192000      9.4999997E-03
 C  -4.1700002E-02  -1.972800      0.1009000    
 C   -3.401500       1.810200      6.6999998E-03
 C   -2.147200       2.412800      3.3199999E-02
 C    2.528700     -0.6377000     -0.3977000    
 C    3.773000      0.1471000     -0.1848000    
 C    4.810800      5.2999998E-03  -1.081900    
 C    3.848800      0.9923000      0.9024000    
 C    5.978100      0.7425000     -0.8827000    
 C    5.016100       1.729600       1.101500    
 C    6.080600       1.604700      0.2089000    
 H   -3.429100      -2.259900      3.0300001E-02
 H   -4.488700     -5.2400000E-02 -1.9300001E-02
 H   0.8330000      -2.608600      0.1867000    
 H   -2.060800       3.496500      2.2299999E-02
 H    1.423000      0.9164000      0.3832000    
 H   2.8700000E-02   3.260700      8.2699999E-02
 H    4.745000     -0.6566000      -1.940300    
 H    3.056100       1.092200       1.636800    
 H   -2.270500      -4.381400       2.155400    
 H   -5.345500       2.214500      -2.138700    
 H    6.800200      0.6378000      -1.586100    
 H    5.086900       2.393100       1.959700    
 H    7.335700       2.975300       1.202200    
 H    8.033300       2.259900     -0.2358000    


%chk=000081000-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081000

0 1
S -1.609566 -4.432929 -0.182315
S -4.977319 2.862462 0.202620
O 0.214000 2.284589 0.051584
O -1.209991 -4.734880 1.604718
O -5.189497 3.018110 -1.634700
O -3.168242 -4.772235 -0.448501
O -0.456666 -5.126098 -1.078266
O -6.227187 2.033153 0.804000
O -4.574013 4.312157 0.799073
O 2.713726 -1.993111 -0.279668
N 1.362700 -0.075573 -0.063541
N 7.379220 2.436463 0.290148
C -1.094202 0.215785 0.004307
C -2.416121 -0.393420 0.019396
C 0.080651 -0.648459 -0.062674
C -1.400209 -2.566294 -0.092847
C -2.560397 -1.814160 -0.022453
C -1.050859 1.658621 0.056006
C -3.599917 0.414808 0.071310
C -0.093556 -2.051284 -0.119554
C -3.452008 1.787524 0.113090
C -2.202708 2.447230 0.106610
C 2.609146 -0.735558 -0.122561
C 3.804897 0.148656 -0.003580
C 5.063242 -0.404287 -0.371013
C 3.778725 1.485827 0.482928
C 6.243485 0.343430 -0.282152
C 4.955515 2.244498 0.585839
C 6.212213 1.689132 0.196937
H -3.548433 -2.283883 -0.014530
H -4.588425 -0.053920 0.090134
H 0.788594 -2.692512 -0.197910
H -2.160270 3.541132 0.162273
H 1.372926 0.951012 -0.036592
H 0.138374 3.269224 0.033847
H 5.081668 -1.440512 -0.724160
H 2.843887 1.943260 0.829130
H -1.045232 -5.716966 1.711619
H -6.025430 3.543975 -1.802530
H 7.199641 -0.103912 -0.578711
H 4.915065 3.267367 0.979337
H 7.364292 3.392019 0.635642
H 8.275781 2.036958 0.026611


