%chk=000103307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103307

0 1
 S   -3.447100       2.544700     -1.6000000E-03
 S    2.597200       2.192600     -0.2263000    
 O   -4.339600       2.674700       1.360200    
 O   -2.360300       3.504100      0.1055000    
 O   -4.349100       2.562600      -1.140400    
 O    1.699400       2.302700       1.134200    
 O    3.654600       3.185700     -0.1217000    
 O    1.695200       2.182200      -1.365900    
 N   -4.926100     -5.6499999E-02 -0.3173000    
 N   0.5957000     -0.5037000      0.5637000    
 N    1.201200     -0.4895000     -0.5319000    
 C   -2.953300      -1.484000     -3.8699999E-02
 C   -1.560800      -1.603300      0.1835000    
 C   -3.532500     -0.2058000     -9.5899999E-02
 C   -2.750400      0.9382000      6.4000003E-02
 C  -0.7886000     -0.4409000      0.3418000    
 C   -1.380900      0.8208000      0.2822000    
 C   -3.725600      -2.646100     -0.1975000    
 C  -0.9815000      -2.881500      0.2407000    
 C    3.339900      0.6092000     -0.1550000    
 C   -3.133600      -3.908000     -0.1374000    
 C   -1.764200      -4.025500      8.1299998E-02
 C    2.587700     -0.5521000     -0.3102000    
 C    5.331900     -0.7281000      0.1284000    
 C    4.714700      0.5211000      6.4599998E-02
 C    3.200100      -1.801100     -0.2471000    
 C    4.574700      -1.889100     -2.7600000E-02
 C    6.801500     -0.8234000      0.3643000    
 H  -0.7585000       1.700100      0.4119000    
 H   -4.796700      -2.625400     -0.3703000    
 H   8.2900003E-02  -3.017500      0.4153000    
 H   -3.741600      -4.799500     -0.2612000    
 H   -1.304300      -5.008300      0.1292000    
 H    5.322900       1.412100      0.1935000    
 H   -5.345000      0.8629000     -0.3337000    
 H   -5.536300     -0.8486000     -0.4457000    
 H    2.619700      -2.711700     -0.3687000    
 H    5.043100      -2.868500      2.1600001E-02
 H    7.332100     -3.8999999E-03 -0.1324000    
 H    7.013000     -0.7817000       1.437400    
 H    7.209800      -1.757800     -3.5300002E-02
 H   -3.835700       2.603200       2.204800    
 H    2.203100       2.242200       1.979700    


%chk=000103307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103307

0 1
S -2.749138 2.437680 -1.123319
S 1.876291 1.311462 1.315369
O -1.893932 3.098570 0.358088
O -1.950050 2.874914 -2.453990
O -4.308711 2.856626 -0.914237
O 1.273605 -0.006387 2.469462
O 2.685958 2.413033 2.177136
O 0.614172 1.824880 0.421050
N -4.822048 0.310120 0.038632
N 0.533648 -1.342446 -0.332714
N 1.330715 -0.697848 -1.151328
C -3.190739 -1.547454 0.208764
C -1.812325 -1.965561 0.118072
C -3.573175 -0.192475 -0.201508
C -2.562061 0.590436 -0.826743
C -0.839002 -1.087910 -0.500119
C -1.255746 0.143289 -1.038732
C -4.150818 -2.455052 0.754332
C -1.435976 -3.241197 0.636365
C 3.100531 0.294419 0.305341
C -3.763479 -3.712402 1.232084
C -2.392653 -4.100317 1.187977
C 2.684960 -0.548862 -0.757807
C 5.467337 -0.076752 -0.128887
C 4.448324 0.538851 0.631700
C 3.726040 -1.123533 -1.539086
C 5.075552 -0.904877 -1.219492
C 6.932121 0.149408 0.192676
H -0.505069 0.785242 -1.511272
H -5.213746 -2.190334 0.789461
H -0.381022 -3.526312 0.587552
H -4.513848 -4.397981 1.638933
H -2.091709 -5.077520 1.579922
H 4.690156 1.222090 1.452904
H -5.023154 1.287388 -0.238869
H -5.510272 -0.218611 0.567543
H 3.438572 -1.754032 -2.386181
H 5.851227 -1.381115 -1.830617
H 7.061782 0.879999 1.007967
H 7.420181 -0.793440 0.504095
H 7.483028 0.524798 -0.689419
H -0.930565 2.762074 0.363982
H 0.683736 0.434740 3.150913


