%chk=000038914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038914

0 1
 S   0.9789000       2.489100     -0.2853000    
 O   -1.548800       1.663200      6.9899999E-02
 O  -0.3782000      0.3319000      -2.333500    
 O   0.1216000      0.7831000       2.368700    
 O   -2.322300     -0.4615000      0.4734000    
 N   -3.772700       1.347800      0.4028000    
 C  -0.2363000       1.179600     -3.0999999E-02
 C   0.3126000      -1.107500     -0.5730000    
 C   0.4590000     -0.9751000      0.8060000    
 C  -0.1289000      0.1633000      -1.154500    
 C   0.1228000      0.3908000       1.216900    
 C   0.5626000      -2.303000      -1.217800    
 C   0.8615000      -2.032900       1.597800    
 C   0.9724000      -3.383900     -0.4323000    
 C    1.120500      -3.250100      0.9619000    
 C    2.471500       1.541600     -0.2532000    
 C   -2.538200      0.7374000      0.3302000    
 C    2.995900      0.9992000      -1.434800    
 C    3.148600       1.321900      0.9546000    
 C    4.173600      0.2520000      -1.409200    
 C    4.326400      0.5749000      0.9802000    
 C   -5.004000      0.6383000      0.6636000    
 C    4.838800      3.9999999E-02 -0.2017000    
 C   -5.651100      0.1722000     -0.6042000    
 C   -5.886300      -1.112300     -0.8954000    
 H   0.4488000      -2.409300      -2.290500    
 H   0.9757000      -1.933100       2.671000    
 H    1.179900      -4.341900     -0.9018000    
 H    1.440200      -4.106800       1.549500    
 H    2.498700       1.156900      -2.389100    
 H    2.774400       1.737100       1.887500    
 H   -3.818800       2.351000      0.2515000    
 H    4.573200     -0.1636000      -2.329500    
 H    4.845300      0.4111000       1.920100    
 H   -5.675200       1.330500       1.182100    
 H   -4.794200     -0.1985000       1.339300    
 H    5.755900     -0.5414000     -0.1818000    
 H   -5.953100      0.9320000      -1.320700    
 H   -6.363600      -1.385200      -1.830200    
 H   -5.608300      -1.908400     -0.2136000    


%chk=000038914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038914

0 1
S 0.822444 2.331961 -0.195092
O -1.645824 1.554945 0.129212
O -0.605488 -0.035672 -2.255650
O -0.126229 0.480019 2.551936
O -2.671815 -0.533554 0.515481
N -3.900011 1.477092 0.428844
C -0.376609 0.847116 0.081898
C 0.408780 -1.396044 -0.473356
C 0.548012 -1.245227 0.931922
C -0.248658 -0.198464 -1.064736
C -0.007541 0.062640 1.375359
C 0.837177 -2.569853 -1.124352
C 1.120135 -2.263199 1.719909
C 1.412421 -3.593115 -0.337693
C 1.552797 -3.441300 1.070514
C 2.457558 1.473076 -0.250028
C -2.770201 0.710939 0.370942
C 2.981801 1.045049 -1.492511
C 3.210807 1.329210 0.939054
C 4.265217 0.453404 -1.540473
C 4.493851 0.737457 0.883387
C -5.236714 0.870232 0.599570
C 5.020131 0.297821 -0.354068
C -5.905246 0.525523 -0.721645
C -6.279856 -0.727985 -1.073653
H 0.716038 -2.676856 -2.206818
H 1.213637 -2.135972 2.802911
H 1.752510 -4.519870 -0.812787
H 1.998693 -4.253712 1.654804
H 2.391033 1.178706 -2.404781
H 2.795260 1.680440 1.889344
H -3.799557 2.481542 0.278217
H 4.673764 0.121221 -2.501105
H 5.079869 0.625811 1.802179
H -5.856178 1.587639 1.171059
H -5.118032 -0.039814 1.211694
H 6.016682 -0.156193 -0.394801
H -6.078182 1.364956 -1.411428
H -6.763752 -0.933799 -2.035000
H -6.099922 -1.585773 -0.414362


