%chk=000121764.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121764

0 1
 S    2.357200       1.332900     -3.2600001E-02
 O   -2.535200       1.232400      0.1723000    
 O    5.414100      -1.045600     -5.5799998E-02
 O    5.262600       1.146400     -0.1528000    
 N   -1.771200     -0.9174000      0.2538000    
 N  -0.2699000      0.9403000      0.1016000    
 N    1.151900     -0.9483000      0.1275000    
 N    4.716800      8.7000001E-03 -7.4600004E-02
 C   -3.701100      0.4331000     -5.1399998E-02
 C   -3.237400     -0.9476000      0.4214000    
 C   -4.060600      0.5327000      -1.536400    
 C   -4.838900      0.9786000      0.8081000    
 C   -3.819000      -2.146500     -0.3083000    
 C   -1.493800      0.3484000      0.1825000    
 C   0.9924000      0.3320000      7.4600004E-02
 C    3.322200     -8.4600002E-02 -8.8999998E-03
 C    2.510000      -1.195700      7.9099998E-02
 H   -3.434600      -1.072300       1.494700    
 H   -4.229600       1.577800      -1.821500    
 H   -3.241800      0.1744000      -2.170500    
 H   -4.964400     -3.6200002E-02  -1.776000    
 H   -4.551600       1.015800       1.865100    
 H   -5.083500       2.008000      0.5224000    
 H   -5.741600      0.3668000      0.7130000    
 H   -3.530800      -2.163100      -1.364500    
 H   -3.446900      -3.076800      0.1352000    
 H   -4.911300      -2.153800     -0.2421000    
 H  -0.2716000       1.956900      5.1600002E-02
 H    2.852200      -2.222100      0.1121000    


%chk=000121764-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121764

0 1
S 2.491182 1.457554 -0.224452
O -2.521663 1.265447 0.041290
O 5.516857 -1.141915 0.214583
O 5.464876 1.119769 -0.210969
N -1.783165 -0.961983 0.159211
N -0.239500 0.929676 -0.070640
N 1.280405 -0.927146 0.252275
N 4.889809 -0.024138 0.014688
C -3.809246 0.432604 -0.064227
C -3.281633 -1.009214 0.333142
C -4.275492 0.569545 -1.520881
C -4.804853 1.012767 0.942517
C -3.886598 -2.192862 -0.433474
C -1.487060 0.297810 0.050276
C 1.009315 0.355302 0.013788
C 3.457855 -0.051583 0.045037
C 2.643859 -1.157974 0.270554
H -3.470658 -1.160413 1.416485
H -4.456128 1.632417 -1.756445
H -3.516584 0.181393 -2.222428
H -5.215470 0.013783 -1.685511
H -4.379174 1.009819 1.960586
H -5.078403 2.049319 0.680355
H -5.728665 0.405322 0.949546
H -3.696454 -2.117277 -1.517114
H -3.423734 -3.127760 -0.075421
H -4.977140 -2.260094 -0.265327
H -0.302866 1.937587 -0.233156
H 3.024929 -2.162553 0.455312


