%chk=000137326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137326

0 1
 S    1.823000      0.7728000      0.2022000    
 O   -3.657200       2.330600      0.8370000    
 O   -4.625400      -1.034200      0.8046000    
 O    4.623500     -0.6903000       2.110500    
 O    4.370000      -1.890800      0.2025000    
 N   -1.530700     -9.1600001E-02 -0.3627000    
 N   -2.733700      0.2493000      0.1828000    
 N    5.757200      0.4863000     -0.8421000    
 C  -0.7667000       1.039400     -0.5363000    
 C   -1.482200      -1.452800     -0.5572000    
 C   -1.434400       2.136600     -0.1155000    
 C   -2.633300      -2.034600     -0.1529000    
 C   -2.766200       1.640200      0.3762000    
 C   -3.501000     -0.9149000      0.3522000    
 C   0.6047000      0.9935000      -1.114600    
 C  -0.2925000      -2.132600      -1.140100    
 C   -1.079900       3.573500     -8.1200004E-02
 C   -3.093500      -3.441800     -0.1383000    
 C    3.319600      0.7605000     -0.8131000    
 C    4.576200      0.5123000      2.3300000E-02
 C    4.522400     -0.8114000      0.7628000    
 H   0.8238000       1.938600      -1.623800    
 H   0.7041000      0.2162000      -1.874100    
 H  -0.1244000      -1.804800      -2.170100    
 H  -0.4159000      -3.219000      -1.171400    
 H   0.6033000      -1.937500     -0.5452000    
 H  -6.6299997E-02   3.755700     -0.4492000    
 H   -1.134800       3.954900      0.9434000    
 H   -1.771600       4.151800     -0.7017000    
 H   -4.005000      -3.549400     -0.7347000    
 H   -3.314100      -3.758600      0.8859000    
 H   -2.347400      -4.128700     -0.5459000    
 H    3.397900       1.723500      -1.330300    
 H    3.209300     -2.3600001E-02  -1.571400    
 H    4.701800       1.323200      0.7514000    
 H    6.598700      0.4249000     -0.2697000    
 H    5.825900       1.365600      -1.353000    
 H    4.569100      -1.559900       2.561200    


%chk=000137326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137326

0 1
S 1.715370 1.272572 0.736442
O -4.101724 2.287654 -0.237983
O -4.754370 -1.015551 0.477859
O 4.918559 -1.982468 -0.760588
O 2.981064 -0.987741 -1.543180
N -1.443925 -0.044261 -0.281519
N -2.798036 0.266483 -0.098679
N 5.755346 0.472028 0.078769
C -0.747873 1.132039 -0.628832
C -1.249884 -1.424658 -0.060026
C -1.652465 2.188634 -0.655122
C -2.477482 -1.991806 0.258621
C -3.005038 1.681544 -0.323149
C -3.521894 -0.942749 0.248889
C 0.716459 1.150380 -0.905661
C 0.106487 -2.052201 -0.169082
C -1.405009 3.638564 -0.946075
C -2.807094 -3.420898 0.577559
C 3.476234 1.405055 0.045600
C 4.329456 0.130594 0.236623
C 3.971476 -0.952954 -0.782810
H 0.963730 2.047557 -1.492328
H 1.084918 0.255408 -1.427428
H 0.463160 -2.097049 -1.214595
H 0.067496 -3.081339 0.220653
H 0.859534 -1.484382 0.408065
H -0.338203 3.851229 -1.127780
H -1.738984 4.264272 -0.098042
H -1.985845 3.968699 -1.827224
H -3.505288 -3.840718 -0.170433
H -3.314839 -3.495046 1.556617
H -1.907637 -4.059168 0.602987
H 3.948684 2.233928 0.598819
H 3.422926 1.685506 -1.018438
H 4.077169 -0.307467 1.235661
H 6.370362 -0.334698 -0.059187
H 6.103565 1.135818 0.775333
H 4.677896 -2.679912 -1.428837


