%chk=000104848.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104848

0 1
 S    4.297400      -1.619900     -0.3313000    
 O   0.8030000     -0.6124000       1.867000    
 O    1.907100       1.426500       2.139500    
 O    3.190200     -0.9301000      0.6577000    
 O   -3.175400      0.3339000      -1.952500    
 O   -3.568100      -1.327600      0.2308000    
 O    4.902900      -2.840200      0.5663000    
 O    3.583200      -2.211300      -1.447600    
 O    5.367100     -0.6694000     -0.5717000    
 O   -3.279400      -3.179400       1.567700    
 N   0.2345000      0.3281000     -0.8725000    
 N   0.6485000       2.550000     -6.3500002E-02
 N   -2.051800      0.5651000      -1.174500    
 N   -1.442900       2.954400      0.7038000    
 N  -0.7353000     -0.3630000      -2.914700    
 N  -0.1258000       4.735600     -0.1901000    
 N   -4.932700      -3.114000     -2.8999999E-02
 C   0.2481000       1.208100      0.3007000    
 C   -1.157400       1.483300      0.9054000    
 C    1.307200      0.5451000       1.206700    
 C    2.350000      9.9799998E-02  0.1680000    
 C    1.501400     -0.3925000      -1.008000    
 C   -2.309400      0.7027000      0.2503000    
 C  -0.8479000      0.1591000      -1.722200    
 C  -0.3532000       3.440300      0.1666000    
 C   -2.488600     -0.6811000      0.8771000    
 C   -3.872900      -2.591200      0.6699000    
 H   -1.155500       1.324100       1.990900    
 H    2.977400      0.9482000     -0.1340000    
 H    1.978900     -0.1625000      -1.966100    
 H    1.297800      -1.467000     -0.9503000    
 H   -3.248900       1.257300      0.3782000    
 H    1.515700       2.760500     -0.5424000    
 H   -2.708900     -0.5796000       1.946400    
 H   -1.584100      -1.288300      0.7574000    
 H    1.536300      -1.240400       1.978200    
 H    1.214500       2.022800       2.469900    
 H   -1.666100     -0.3941000      -3.345100    
 H  -0.8299000       5.452000     -5.0299998E-02
 H   0.7544000       5.022800     -0.6040000    
 H   -3.336700     -0.6143000      -1.807400    
 H    5.155800      -2.599600       1.488400    
 H   -5.391300      -2.587400     -0.7649000    
 H   -5.289400      -4.042800      0.1685000    


%chk=000104848-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104848

0 1
S 4.758033 -1.304742 0.541161
O 1.025193 -0.848793 1.626665
O 2.466854 1.029841 1.453383
O 2.962593 -1.749422 -0.057553
O -3.448225 0.885617 -1.636493
O -3.687960 -1.172947 0.167296
O 4.402512 -0.504454 2.076534
O 5.439147 -2.709061 0.845301
O 5.337795 -0.257207 -0.537481
O -3.336711 -3.358776 0.979016
N 0.081656 0.140791 -1.073078
N 0.891308 2.344016 -0.178681
N -2.126058 0.919494 -1.015571
N -0.922551 2.700093 1.258704
N -1.267063 -0.397853 -2.922377
N 0.164876 4.600732 0.296009
N -5.240319 -2.793951 -0.278279
C 0.381239 0.939107 0.105775
C -0.845529 1.232838 1.071067
C 1.549930 0.128600 0.741300
C 2.261996 -0.535626 -0.478651
C 1.113969 -0.857019 -1.457114
C -2.170158 0.703173 0.461083
C -1.150430 0.174073 -1.752870
C -0.012795 3.249433 0.490110
C -2.423217 -0.765484 0.851983
C -4.040984 -2.544277 0.344501
H -0.666490 0.738025 2.041351
H 2.979140 0.177767 -0.929643
H 1.404220 -0.742557 -2.513002
H 0.735297 -1.886682 -1.316796
H -2.981057 1.345027 0.844606
H 1.079780 2.530965 -1.173872
H -2.554932 -0.870367 1.943247
H -1.608490 -1.437214 0.530891
H 1.635825 -1.638094 1.625530
H 2.303771 1.941412 1.043934
H -2.230576 -0.317761 -3.295256
H -0.503642 5.233144 0.729020
H 1.024918 4.975653 -0.093607
H -3.866723 0.043260 -1.266585
H 3.684129 0.264562 1.900371
H -5.770467 -2.053195 -0.730603
H -5.610003 -3.740538 -0.248028


