%chk=000167784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167784

0 1
 S   -3.683000      9.7199999E-02 -0.8761000    
 O   -3.999100       1.397900      -1.437100    
 O   -4.044800      -1.102800      -1.607800    
 O   0.1903000       3.494100     -7.7900000E-02
 O   6.1000001E-02  -3.516300     -0.5560000    
 O    2.074600       2.387200      0.1297000    
 O    1.984300      -2.517700     -0.2057000    
 N    2.204200     -7.0299998E-02 -1.2100000E-02
 N   -4.302200     -7.9999998E-04  0.7304000    
 N   0.8354000       2.420000     -5.2600000E-02
 N   0.7449000      -2.480100     -0.3869000    
 C   0.8031000     -3.0400001E-02 -0.2179000    
 C    3.107100     -2.3800001E-02  -1.141000    
 C    2.740400     -0.1717000       1.327200    
 C   0.1356000       1.194200     -0.2369000    
 C   9.1200002E-02  -1.215700     -0.4014000    
 C    4.515100      0.3517000     -0.6912000    
 C    1.616300     -0.2837000       2.351800    
 C   -1.931400      4.7400001E-02 -0.6189000    
 C   -1.244000       1.233400     -0.4391000    
 C   -1.288400      -1.176400     -0.6038000    
 C    5.516000      0.3706000      -1.838400    
 C    2.129500     -0.4384000       3.776700    
 C   -3.959400      -1.202000       1.533500    
 C   -4.296700       1.236500       1.551500    
 H    2.761900      0.7138000      -1.876900    
 H    3.136400     -0.9845000      -1.665900    
 H    3.347300      0.7025000       1.587900    
 H    3.379900      -1.057600       1.421200    
 H    4.522700       1.341600     -0.2212000    
 H    4.903800     -0.3648000      4.0700000E-02
 H   0.9785000      0.6070000       2.341600    
 H   0.9804000      -1.154100       2.161000    
 H   -1.784400       2.175400     -0.4492000    
 H   -1.862000      -2.088100     -0.7426000    
 H    5.586100     -0.6135000      -2.312700    
 H    5.221800       1.099400      -2.600300    
 H    6.510500      0.6438000      -1.471900    
 H    2.738700      -1.342500       3.876800    
 H    2.740800      0.4219000       4.067200    
 H    1.292100     -0.5130000       4.477500    
 H   -2.966500      -1.103500       1.981000    
 H   -4.696200      -1.328000       2.333200    
 H   -3.997000      -2.103800      0.9162000    
 H   -4.937400       1.101500       2.428900    
 H   -3.283800       1.473800       1.887900    
 H   -4.702300       2.077500      0.9829000    


%chk=000167784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167784

0 1
S -3.671476 0.588681 -1.012117
O -3.922564 2.193479 -1.037657
O -3.945872 -0.403388 -2.268418
O 0.147976 3.228074 1.673461
O 0.195589 -3.049862 -1.796931
O 2.032527 2.755748 0.475746
O 1.497335 -2.849035 0.064225
N 2.294004 -0.121589 0.299133
N -4.752916 -0.065608 0.392794
N 0.843077 2.462477 0.894195
N 0.672849 -2.367132 -0.808621
C 0.945060 0.040501 0.044544
C 3.194496 -0.748547 -0.706005
C 2.948615 0.309646 1.563092
C 0.196148 1.228138 0.396067
C 0.162434 -0.984148 -0.619322
C 4.318480 0.219430 -1.152120
C 2.100974 0.061539 2.830096
C -1.842769 0.353398 -0.560869
C -1.180312 1.371105 0.133217
C -1.190264 -0.817196 -0.966966
C 5.194361 -0.430929 -2.244588
C 2.921710 0.366222 4.101976
C -4.585970 -1.527003 0.558665
C -4.593753 0.752359 1.616365
H 2.603755 -1.017170 -1.598858
H 3.620455 -1.686161 -0.297948
H 3.262323 1.371328 1.506790
H 3.867472 -0.300884 1.640586
H 3.860566 1.154101 -1.526185
H 4.951577 0.497816 -0.288974
H 1.190862 0.689383 2.834618
H 1.765626 -0.993396 2.832246
H -1.688013 2.305000 0.395654
H -1.716526 -1.605961 -1.514585
H 5.663282 -1.365082 -1.882714
H 4.600175 -0.677667 -3.144020
H 6.003462 0.253525 -2.554671
H 3.813714 -0.283899 4.170201
H 3.263427 1.417676 4.116168
H 2.314133 0.199138 5.008562
H -3.655540 -1.820163 1.095408
H -5.453780 -1.889384 1.138602
H -4.618687 -2.007604 -0.433058
H -5.472286 0.553857 2.256361
H -3.672863 0.524617 2.199346
H -4.611572 1.819470 1.339807


