%chk=000014652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014652

0 1
 S    4.854100      2.8800000E-02 -8.5400000E-02
 O    5.295700     -0.9789000      -1.039000    
 O    5.317800       1.403000     -0.2194000    
 N   -3.188400     -0.6712000      0.1425000    
 N   -1.891100       1.111900     -0.2322000    
 C   0.3124000      6.8999999E-03 -3.1800002E-02
 C   -1.117300     -1.9999999E-04 -1.5699999E-02
 C    3.108300      2.0400001E-02 -6.3900001E-02
 C   -3.136100      0.6925000     -0.1339000    
 C   -1.892200      -1.111900      0.2173000    
 C    1.017100      -1.134900     -0.4244000    
 C    1.015100       1.155500      0.3446000    
 C    2.412000      -1.128100     -0.4403000    
 C    2.409800       1.162200      0.3285000    
 C   -4.376000      -1.380500      0.2988000    
 C   -4.381100       1.376200     -0.2593000    
 C    5.318400     -0.5181000       1.542100    
 C   -5.544500     -0.7294000      0.1803000    
 C   -5.533900      0.6959000     -0.1089000    
 H   -1.656800      -2.146500      0.4307000    
 H   0.5069000      -2.043600     -0.7342000    
 H   0.4923000       2.055800      0.6593000    
 H    2.935400      -2.029900     -0.7454000    
 H    2.932300       2.065000      0.6323000    
 H   -4.311800      -2.440500      0.5126000    
 H   -4.385500       2.438900     -0.4747000    
 H    4.924300      0.1842000       2.279100    
 H    6.409100     -0.5396000       1.594000    
 H    4.918400      -1.520200       1.707400    
 H   -6.495500      -1.235300      0.2932000    
 H   -6.490600       1.198500     -0.2005000    


%chk=000014652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014652

0 1
S 4.989290 -0.036279 -0.119268
O 5.485464 -1.406376 -0.868120
O 5.432628 1.454997 -0.629021
N -3.330426 -0.747987 -0.064376
N -1.887165 1.023925 0.180248
C 0.305358 -0.158347 -0.022504
C -1.166662 -0.163101 -0.003209
C 3.097934 -0.084158 -0.048572
C -3.196985 0.673247 0.143317
C -2.038037 -1.262974 -0.154341
C 1.055096 -1.356184 -0.188737
C 0.992670 1.080678 0.111582
C 2.464100 -1.327821 -0.206043
C 2.400962 1.127635 0.093943
C -4.574597 -1.363778 -0.142666
C -4.380277 1.452428 0.271039
C 5.545351 -0.178318 1.709402
C -5.719436 -0.590082 -0.016241
C -5.626876 0.829093 0.192517
H -1.853411 -2.320716 -0.316785
H 0.541537 -2.315772 -0.311527
H 0.396875 1.991532 0.220288
H 3.059765 -2.232640 -0.367541
H 2.945742 2.075657 0.157128
H -4.587985 -2.444093 -0.303201
H -4.271542 2.528220 0.427360
H 5.128362 0.687967 2.240847
H 6.643405 -0.152947 1.670538
H 5.164935 -1.136769 2.088030
H -6.694649 -1.079579 -0.079124
H -6.542824 1.419440 0.288738


