%chk=000121846.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121846

0 1
 S    1.137000      -2.091000      0.3645000    
 O   0.1542000       2.266100      0.9454000    
 O    2.802300       1.010900      -1.307700    
 O   0.4292000      -1.385800       1.416400    
 O   0.9290000      -3.513700      0.1713000    
 N   0.9042000      -1.282700      -1.127900    
 N   -5.163800      -1.599800     -0.5666000    
 C   0.5479000      0.1649000      -1.081800    
 C    1.701700      0.9169000     -0.4060000    
 C    1.272500       2.329100      4.1700002E-02
 C  -0.7530000      0.4097000     -0.3607000    
 C  -0.8682000       1.424600      0.5970000    
 C   0.9260000       3.268300      -1.128000    
 C    2.412400       2.980700      0.8447000    
 C   -1.887400     -0.3608000     -0.6634000    
 C    1.825800      -1.586900      -2.245600    
 C    2.878900      -1.837900      0.6314000    
 C   -2.074200       1.625100       1.276600    
 C   -3.094200     -0.1501000      5.5000000E-03
 C   -3.185200      0.8383000      0.9809000    
 C    3.340700      -2.476200       1.922200    
 C   -4.235700     -0.9497000     -0.3100000    
 H   0.4117000      0.5249000      -2.110500    
 H    1.998000      0.4601000      0.5276000    
 H   0.5755000       4.236000     -0.7492000    
 H    1.787700       3.452000      -1.777300    
 H   0.1110000       2.875700      -1.743900    
 H    2.663800       2.378900       1.725800    
 H    3.318000       3.110700      0.2434000    
 H    2.108100       3.963400       1.224400    
 H   -1.823300      -1.134400      -1.426800    
 H    2.844200      -1.239600      -2.071700    
 H    1.456700      -1.145900      -3.177100    
 H    1.852800      -2.670100      -2.404100    
 H    2.478800       1.360300      -2.154800    
 H    3.395400      -2.354200     -0.1848000    
 H    3.223400     -0.8158000      0.6314000    
 H   -2.156600       2.403300       2.031000    
 H   -4.116300       1.013500       1.514400    
 H    4.424100      -2.368800       2.036400    
 H    2.859700      -2.006400       2.786300    
 H    3.103700      -3.544700       1.947600    


%chk=000121846-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121846

0 1
S 1.360958 -2.223224 0.367040
O -0.048847 2.565739 0.849248
O 2.971405 0.871376 -0.710847
O 0.779627 -1.460747 1.683514
O 0.947069 -3.753761 0.015886
N 0.832641 -1.211806 -1.096400
N -5.202680 -1.725024 -0.574048
C 0.565954 0.230961 -0.895286
C 1.642255 1.014564 -0.093492
C 1.252153 2.512961 0.093555
C -0.822047 0.502579 -0.306482
C -1.050504 1.649048 0.502604
C 1.052028 3.273355 -1.235332
C 2.249662 3.222987 1.016098
C -1.898823 -0.365760 -0.567124
C 1.409981 -1.689115 -2.368170
C 3.329615 -2.179183 0.458857
C -2.331885 1.908514 1.046350
C -3.191309 -0.108622 -0.042590
C -3.398252 1.039892 0.775445
C 3.750335 -2.650354 1.846610
C -4.285477 -0.995884 -0.330265
H 0.578551 0.632378 -1.934775
H 1.748318 0.565660 0.908715
H 0.766033 4.315417 -1.015580
H 1.985809 3.306044 -1.828759
H 0.250927 2.831078 -1.853313
H 2.303059 2.707512 1.990052
H 3.256012 3.224994 0.564952
H 1.928866 4.263867 1.191947
H -1.711531 -1.268345 -1.156709
H 2.434859 -1.312707 -2.574630
H 0.742950 -1.380771 -3.193878
H 1.418802 -2.793350 -2.355592
H 2.943807 1.236522 -1.632456
H 3.617462 -2.858576 -0.359025
H 3.577588 -1.131311 0.223520
H -2.463659 2.792383 1.676757
H -4.390708 1.238137 1.191317
H 4.852939 -2.596570 1.922227
H 3.319108 -2.008661 2.633595
H 3.443452 -3.693298 2.034461


