%chk=000001365.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001365

0 1
 S   -6.368200     -3.4899998E-02 -0.1773000    
 O    2.954300      -2.382300      0.5233000    
 O    5.060600       1.796500      0.1816000    
 O   -6.731100      -1.621900     -2.6200000E-02
 O   -6.900600      0.6361000      0.9997000    
 O   -6.755600      0.3916000      -1.512900    
 N   0.3901000     -0.8678000      0.2358000    
 N    2.737400       1.727300      7.6300003E-02
 N    4.031500     -0.3010000      0.3554000    
 N   0.3072000       1.347200     -3.4000000E-03
 C    1.684300     -0.4329000      0.2529000    
 C    1.605000      0.9250000      0.1051000    
 C  -0.4019000      0.2404000      7.9499997E-02
 C    2.902800      -1.162500      0.3909000    
 C    4.017900       1.132500      0.2021000    
 C   -1.845100      0.1738000      1.7300000E-02
 C  -5.9400000E-02  -2.236100      0.3603000    
 C    5.351200     -0.9097000      0.4861000    
 C    2.601900       3.169600     -8.3800003E-02
 C   -2.480000      1.5100000E-02  -1.212400    
 C   -2.595000      0.2689000       1.187300    
 C   -4.625700      4.6100002E-02 -0.1024000    
 C   -3.872100     -4.8900001E-02  -1.272300    
 C   -3.987100      0.2050000       1.127500    
 C    5.919100      -1.287100     -0.8475000    
 C    7.058300     -0.7904000      -1.343000    
 H   0.2826000      -2.621100       1.324700    
 H   -1.146700      -2.304900      0.3105000    
 H   0.3760000      -2.814200     -0.4591000    
 H    5.273000      -1.816700       1.096900    
 H    6.021500     -0.2294000       1.024200    
 H    3.575300       3.666500     -8.7099999E-02
 H    2.006500       3.565000      0.7449000    
 H    2.096900       3.376100      -1.032500    
 H   -1.905700     -6.2300000E-02  -2.132400    
 H   -2.111100      0.3912000       2.153400    
 H   -4.346500     -0.1810000      -2.240500    
 H   -4.553100      0.2738000       2.052100    
 H    5.372300      -2.018700      -1.437100    
 H    7.419700      -1.109100      -2.314500    
 H    7.645500     -6.2199999E-02 -0.7946000    
 H   -6.452400      -2.040300      0.8222000    


%chk=000001365-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001365

0 1
S -6.509450 0.179164 -0.301819
O 3.313717 -2.531599 -0.111149
O 5.012347 1.765913 0.822096
O -6.833246 -0.514734 1.392754
O -6.980677 1.726580 -0.321357
O -7.064004 -0.867683 -1.404029
N 0.491290 -1.167813 -0.082200
N 2.689772 1.559111 0.591615
N 4.131845 -0.364665 0.350150
N 0.287737 1.077025 0.322181
C 1.782546 -0.656348 0.112475
C 1.614488 0.718483 0.354823
C -0.392273 -0.087581 0.048525
C 3.075418 -1.297790 0.095303
C 4.006752 1.037365 0.599704
C -1.859018 -0.101218 -0.055415
C 0.213959 -2.600352 -0.316177
C 5.528311 -0.907481 0.317760
C 2.472250 2.998237 0.840930
C -2.622738 -1.175388 -0.596769
C -2.541080 1.070148 0.394538
C -4.647428 0.067607 -0.191470
C -4.028587 -1.098196 -0.663882
C -3.941976 1.162876 0.335386
C 6.091092 -0.926283 -1.091525
C 7.140964 -0.168470 -1.491322
H 1.154763 -3.151792 -0.164745
H -0.549060 -2.963218 0.391715
H -0.123463 -2.770941 -1.353095
H 5.471806 -1.933003 0.721705
H 6.139972 -0.271919 0.975519
H 3.458478 3.465508 0.973082
H 1.861701 3.137744 1.748821
H 1.945170 3.452461 -0.014343
H -2.141783 -2.070964 -0.990946
H -1.942283 1.896249 0.786719
H -4.623763 -1.911551 -1.090085
H -4.470477 2.059544 0.672751
H 5.601544 -1.617831 -1.791172
H 7.531107 -0.224404 -2.513987
H 7.632563 0.533782 -0.807461
H -7.824686 -0.514271 1.535396


