%chk=000097535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097535

0 1
 S    2.030400      -1.662500      0.7488000    
 O  -0.2120000       2.422600       2.020900    
 O    3.241200       1.408300      -1.105800    
 O   -3.518700       1.215600      -2.180700    
 O   -5.015000      0.9525000     -0.4976000    
 O    5.503400      -1.149400     -5.8300000E-02
 O   0.4326000     -0.4154000      -2.223600    
 O   0.6826000      -2.583600      -2.459200    
 O    7.403200     -0.3018000     -0.9641000    
 O   -4.544500      -2.513700       1.591700    
 O   -4.513700      -2.274000     -0.5901000    
 N   0.9625000       1.362300      0.3205000    
 N    4.585000       1.152100      0.7681000    
 N   -4.778600       3.637400      7.9300001E-02
 N   0.2671000      -1.589600      -1.819800    
 N   -3.925100      -2.326600      0.5167000    
 C    2.181700       1.129400       1.059600    
 C   -2.512000       2.793800      0.4617000    
 C   -1.283000       2.097200     -0.1262000    
 C    2.155000     -0.1962000       1.824500    
 C   -3.643200       2.966200     -0.5581000    
 C  -0.1416000       1.996100      0.8715000    
 C    3.369000       1.255400      0.1074000    
 C   0.2569000      -1.856900      0.6304000    
 C   -4.151900       1.623200      -1.049900    
 C  -0.4178000      -1.802300     -0.5893000    
 C    5.853300       1.215400      7.9999998E-02
 C  -0.4541000      -2.067700       1.811900    
 C   -1.803200      -1.958500     -0.6275000    
 C   -2.514200      -2.169100      0.5540000    
 C   -1.839500      -2.223800       1.773600    
 C    6.344500     -0.1362000     -0.3705000    
 H    2.283500       1.940200       1.793200    
 H   -2.866900       2.212400       1.324000    
 H   -2.217200       3.777800      0.8498000    
 H   -1.535800       1.080600     -0.4404000    
 H  -0.9239000       2.647500      -1.003700    
 H    1.342100     -0.1850000       2.557200    
 H    3.075100     -0.3203000       2.404400    
 H   0.9151000       1.037000     -0.6407000    
 H   -3.314900       3.567200      -1.413300    
 H    4.603600       1.049400       1.777800    
 H   -4.482700       4.546300      0.4333000    
 H   -5.498500       3.826200     -0.6176000    
 H    6.580700       1.635100      0.7805000    
 H    5.757500       1.862000     -0.7972000    
 H   4.6599999E-02  -2.130000       2.775000    
 H   -2.311700      -1.910800      -1.588600    
 H   -2.360200      -2.389000       2.713400    
 H   -3.839100      0.3391000      -2.483000    
 H    5.844500      -2.017200     -0.3627000    


%chk=000097535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097535

0 1
S 1.796966 -1.677028 0.311889
O -0.243117 1.668035 2.095603
O 3.346041 1.506316 -1.194251
O -4.347921 1.076038 -1.580247
O -4.334891 0.770550 0.724502
O 6.863634 -0.046624 1.747938
O -0.506105 -2.317652 -3.406114
O 1.311736 -2.823540 -2.117076
O 8.286066 0.206479 -0.079807
O -4.980649 -2.390061 0.912228
O -4.858371 -1.684230 -1.255377
N 1.130293 1.537415 0.238255
N 4.713047 0.780981 0.528380
N -4.662197 3.820336 0.487197
N 0.089255 -2.428425 -2.265889
N -4.316034 -2.015036 -0.114386
C 2.290796 1.072352 0.990425
C -2.324954 3.021169 0.576400
C -1.200525 2.227345 -0.119739
C 2.076457 -0.331981 1.625855
C -3.666203 2.973281 -0.194084
C -0.079959 1.814735 0.840662
C 3.493557 1.135872 0.012296
C -0.024810 -1.762954 0.187432
C -4.140389 1.507828 -0.277077
C -0.673705 -2.099020 -1.042982
C 5.908849 0.779228 -0.319520
C -0.864411 -1.538141 1.315341
C -2.077752 -2.139422 -1.162890
C -2.852695 -1.928805 -0.013919
C -2.259664 -1.644793 1.237663
C 7.147851 0.295811 0.413093
H 2.478844 1.761025 1.843000
H -2.473863 2.603487 1.589865
H -2.044033 4.082529 0.691287
H -1.609137 1.284737 -0.540859
H -0.786338 2.790549 -0.977672
H 1.232310 -0.268951 2.326399
H 2.969360 -0.669707 2.179176
H 1.307604 1.709675 -0.760939
H -3.533551 3.348306 -1.223494
H 4.835129 0.499630 1.503849
H -4.862957 3.513036 1.445970
H -5.517148 3.986424 -0.053470
H 6.115635 1.791490 -0.717616
H 5.756032 0.137698 -1.208574
H -0.425764 -1.280546 2.281154
H -2.532259 -2.352703 -2.134059
H -2.891206 -1.482893 2.113884
H -4.649823 0.110103 -1.602761
H 7.689066 -0.361246 2.204360


