%chk=000132476.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132476

0 1
 S   -3.694200       2.329500     -0.8040000    
 O   -1.125400     -0.5885000       1.880300    
 O   -4.401100      0.1368000       1.482100    
 O   -4.365200       3.243300      0.3779000    
 O   -4.795200       1.698400      -1.526200    
 O   -2.766900       3.190500      -1.532200    
 O  -0.5685000      -2.002100      -2.021900    
 O    1.870500     -0.6327000      -2.281900    
 O    4.560500       2.886000      0.3431000    
 O    5.175300       1.475700       2.009000    
 N   -2.824100       1.148500      2.1000000E-02
 N   -2.304300      -2.017500      0.3131000    
 N   0.9793000      -1.563800     -0.3345000    
 N    5.980100     -0.4493000      0.3157000    
 C   -2.024800     -0.6563000      0.7749000    
 C   -1.744100      0.2509000     -0.4421000    
 C   -3.326300      0.1926000      0.9314000    
 C   -1.051200      -2.764500      0.2242000    
 C   -1.323700      -4.226200     -0.1107000    
 C  -0.2113000      -2.083100     -0.8487000    
 C   -1.644400      -1.028400       3.132900    
 C    3.113700     -0.4251000     -0.2392000    
 C    1.936300     -0.8770000      -1.079500    
 C    4.137600      0.3227000      -1.094700    
 C    5.383200      0.7366000     -0.3041000    
 C    5.034100       1.703100      0.8140000    
 H  -0.7765000      0.7606000     -0.4510000    
 H   -1.979000     -0.1212000      -1.443700    
 H   -2.824400      -2.085200     -0.5611000    
 H  -0.5237000      -2.775800       1.184100    
 H  -0.3830000      -4.780800     -0.1986000    
 H   -1.851500      -4.330900      -1.065500    
 H   -1.929000      -4.703000      0.6677000    
 H   -2.109100      -2.014800       3.048600    
 H   -2.368300     -0.3033000       3.514400    
 H  -0.8139000      -1.094100       3.840700    
 H    1.166000      -1.687400      0.6573000    
 H   -3.726600       3.631300       1.021300    
 H    2.731800      0.2183000      0.5616000    
 H    3.549700      -1.320200      0.2179000    
 H    4.444900     -0.3106000      -1.937900    
 H    3.666000       1.211100      -1.534000    
 H    6.121000       1.212500     -0.9590000    
 H    6.853900     -0.1914000      0.7733000    
 H    6.227800      -1.123600     -0.4076000    
 H    4.346300       3.509200       1.069800    


%chk=000132476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132476

0 1
S -4.633701 2.316690 -1.002925
O -2.587293 -0.305634 2.352907
O -5.303192 -0.890679 0.468815
O -5.787751 2.682686 0.393917
O -5.533187 1.872929 -2.262078
O -3.527246 3.476256 -1.134290
O -0.487534 -1.265684 -1.724609
O 2.247551 -0.495738 -2.413865
O 5.910127 2.070597 0.775332
O 6.979298 0.155619 1.534363
N -3.793912 0.925021 -0.175387
N -2.182247 -1.779193 0.499951
N 1.387567 -1.078900 -0.295879
N 6.614223 -1.138826 -0.864253
C -2.733877 -0.520127 0.922097
C -2.346520 0.854908 0.225162
C -4.224708 -0.292202 0.397337
C -0.736117 -1.994441 0.617924
C -0.430783 -3.511492 0.709555
C 0.046417 -1.400990 -0.597746
C -3.304475 -1.296972 3.187849
C 3.755137 -0.416374 -0.467972
C 2.422333 -0.641422 -1.183435
C 4.725891 0.444653 -1.292640
C 6.198575 0.265568 -0.815880
C 6.409802 0.776580 0.609051
H -2.052069 1.641477 0.933657
H -1.673363 0.775019 -0.639917
H -2.617869 -2.208140 -0.322480
H -0.409530 -1.497075 1.552470
H 0.650789 -3.704591 0.823304
H -0.772300 -4.026650 -0.206527
H -0.962639 -3.944604 1.572934
H -3.072084 -2.323887 2.853874
H -4.395108 -1.127524 3.135514
H -2.941837 -1.125543 4.212394
H 1.666956 -1.186061 0.684318
H -6.661732 2.946626 -0.019825
H 3.584258 0.024002 0.534852
H 4.248410 -1.402649 -0.316352
H 4.661251 0.131349 -2.350536
H 4.450941 1.512424 -1.248415
H 6.821383 0.936296 -1.455929
H 7.249028 -1.426943 -0.114775
H 6.853078 -1.492375 -1.791342
H 6.110360 2.386818 1.697680


