%chk=000048386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048386

0 1
 S  -0.8318000      0.6844000      -1.112900    
 O   0.8350000      -1.149800       1.672900    
 N   0.6796000      -1.962600     -0.4783000    
 C   0.7392000      0.4745000     -0.1586000    
 C    1.938700      0.6718000      -1.125500    
 C   0.7991000       1.563700      0.9471000    
 C   0.7570000     -0.9423000      0.4619000    
 C    3.325400      0.4825000     -0.5136000    
 C   0.7118000       3.009700      0.4628000    
 C   -1.969600      0.4272000      0.2615000    
 C   0.6849000      -3.356900     -0.1024000    
 C   -3.383200      0.5397000     -0.2114000    
 C   -4.285900     -0.4418000     -0.1035000    
 H    1.903900       1.657400      -1.604500    
 H    1.864600     -4.5899998E-02  -1.953800    
 H    1.741700       1.458100       1.500500    
 H   4.4799998E-02   1.398000       1.723500    
 H    3.425400     -0.4949000     -3.2800000E-02
 H    4.087200      0.5460000      -1.297800    
 H    3.551600       1.259100      0.2220000    
 H    1.533600       3.272700     -0.2078000    
 H   0.7827000       3.681400       1.325900    
 H  -0.2359000       3.233300     -3.3300001E-02
 H   -1.803300     -0.5478000      0.7280000    
 H   -1.847700       1.203100       1.020100    
 H   0.5479000      -1.733000      -1.458400    
 H   0.9328000      -3.954700     -0.9823000    
 H  -0.3115000      -3.622600      0.2600000    
 H    1.419600      -3.529200      0.6884000    
 H   -3.701100       1.486100     -0.6433000    
 H   -5.301800     -0.2943000     -0.4535000    
 H   -4.031800      -1.402400      0.3307000    


%chk=000048386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048386

0 1
S -0.830338 0.659755 -1.094599
O 1.688539 -1.165103 1.512732
N 0.421982 -1.967789 -0.269293
C 0.840832 0.487691 -0.112025
C 1.922178 0.708441 -1.221318
C 0.923007 1.520713 1.039042
C 1.000627 -0.952066 0.463474
C 3.376799 0.665602 -0.701019
C 0.887415 2.996847 0.599621
C -2.120590 0.352118 0.288703
C 0.579611 -3.381933 0.082427
C -3.500763 0.517337 -0.286136
C -4.417754 -0.479669 -0.373083
H 1.729326 1.684442 -1.705636
H 1.787076 -0.064707 -2.002604
H 1.850398 1.303601 1.600143
H 0.106706 1.321477 1.759637
H 3.592013 -0.279094 -0.172777
H 4.079721 0.758826 -1.548694
H 3.581948 1.494526 -0.000480
H 1.781819 3.273291 0.012181
H 0.858376 3.656551 1.485882
H -0.003611 3.208477 -0.019292
H -1.958076 -0.659961 0.694965
H -1.925384 1.103704 1.072708
H -0.162442 -1.684433 -1.065568
H 1.105801 -3.937753 -0.716090
H -0.399984 -3.862346 0.262401
H 1.178623 -3.432022 1.006390
H -3.757177 1.524103 -0.645920
H -5.417050 -0.302597 -0.785492
H -4.196729 -1.497524 -0.028678


