%chk=000080709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080709

0 1
 S   -4.227700     -0.3178000     -9.3800001E-02
 S    4.256200     -7.4000000E-03  9.0300001E-02
 O   -4.685800     -0.4121000       1.472800    
 O    4.712800      8.2500003E-02  -1.476900    
 O   -4.885700      0.8512000     -0.6588000    
 O   -4.402300      -1.630600     -0.6952000    
 O    4.458200       1.313400      0.6678000    
 O    4.887200      -1.178600      0.6782000    
 N  -0.2529000       2.915300      2.0900000E-02
 C   0.2510000      0.5051000      1.0100000E-02
 C  -0.2230000     -0.8282000     -1.1200000E-02
 C  -0.6731000       1.562600      1.9999999E-04
 C   -2.510700     -2.0000001E-03 -5.0999999E-02
 C   -1.607000      -1.064800     -4.1600000E-02
 C    1.634900      0.7416000      4.0500000E-02
 C    2.538700     -0.3212000      5.0000001E-02
 C   0.7011000      -1.885800     -1.3000000E-03
 C   -2.044700       1.309200     -3.0200001E-02
 C    2.072700      -1.632300      2.9200001E-02
 H   -1.969700      -2.090700     -5.0000001E-02
 H    2.035400       1.750000      4.7600001E-02
 H   0.3595000      -2.918700     -1.8900000E-02
 H   -2.743900       2.142000     -3.0300001E-02
 H    2.757300      -2.475800      2.8300000E-02
 H  -0.9521000       3.647100      1.2300000E-02
 H   0.7196000       3.180000      4.7100000E-02
 H   -4.549700      0.4081000       2.003100    
 H    4.292700      0.8061000      -1.998700    


%chk=000080709-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080709

0 1
S -4.337548 -0.258868 -0.065490
S 4.342871 0.078930 0.055501
O -4.551122 -0.332574 1.778299
O 4.609499 -0.083879 -1.775677
O -5.116055 1.047473 -0.619434
O -4.641386 -1.722589 -0.680801
O 4.583624 1.620241 0.489222
O 5.140696 -1.122017 0.787947
N -0.279953 3.020054 0.062533
C 0.244548 0.601495 0.015097
C -0.238571 -0.767938 -0.026882
C -0.706916 1.704405 0.030777
C -2.489870 0.063666 -0.019288
C -1.643538 -1.035138 -0.040543
C 1.655265 0.824191 0.025651
C 2.507926 -0.270793 0.007815
C 0.703945 -1.851111 -0.042569
C -2.088838 1.412106 0.015205
C 2.079056 -1.621712 -0.027148
H -2.030822 -2.056968 -0.081489
H 2.098521 1.824969 0.063817
H 0.322270 -2.877088 -0.069005
H -2.841291 2.207331 0.010386
H 2.805357 -2.439057 -0.025928
H -0.959206 3.776473 0.074883
H 0.702932 3.273587 0.076265
H -5.519337 -0.510746 1.963311
H 5.596945 -0.056245 -1.941956


