%chk=000170462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170462

0 1
 S    2.789400      2.4400000E-02  8.5400000E-02
 O    2.729800      -1.328700      0.9944000    
 O    3.737200      0.9315000      0.7058000    
 O    2.972000     -0.3861000      -1.294800    
 N    1.217000      0.6894000      0.2164000    
 C   0.1427000      7.5900003E-02 -0.6100000    
 C  -0.8369000       1.159100      -1.067700    
 C  -0.4281000      -1.125900      0.1483000    
 C   -1.626600       1.902100      9.6000005E-03
 C   -1.687500      -1.736200     -0.4690000    
 C   -2.572100       1.085300      0.8890000    
 C   -2.987200      -1.372700      0.2516000    
 C   -3.449600      8.1600003E-02  0.1410000    
 H   0.5820000     -0.3068000      -1.539400    
 H   -1.529800      0.7421000      -1.806900    
 H  -0.2624000       1.917000      -1.619400    
 H  -0.5749000     -0.9053000       1.210900    
 H   0.3417000      -1.909300      0.1373000    
 H   -2.225600       2.668300     -0.5012000    
 H  -0.9370000       2.456000      0.6582000    
 H   -1.589700      -2.828200     -0.4021000    
 H   -1.762700      -1.513400      -1.538900    
 H   -3.233900       1.805300       1.389700    
 H   -2.021600      0.6026000       1.702200    
 H   -2.909500      -1.652400       1.309800    
 H   -3.782600      -2.003200     -0.1669000    
 H   -4.451000      0.1245000      0.5902000    
 H   -3.586000      0.3661000     -0.9080000    
 H   0.9149000       1.000100       1.148800    
 H    2.462600      -1.193700       1.933800    


%chk=000170462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170462

0 1
S 2.834541 0.118671 0.177190
O 2.617127 -1.321051 1.374835
O 3.824899 1.173328 0.882577
O 3.137354 -0.478562 -1.286510
N 1.186004 0.769391 0.175784
C 0.126900 0.068245 -0.608079
C -0.874684 1.156943 -1.082283
C -0.461045 -1.153327 0.155734
C -1.669470 1.940572 -0.011049
C -1.742387 -1.769378 -0.476083
C -2.641122 1.128726 0.890916
C -3.078940 -1.379501 0.210385
C -3.541160 0.101327 0.142572
H 0.634003 -0.306310 -1.519219
H -1.583132 0.665550 -1.775994
H -0.297379 1.881538 -1.686920
H -0.668221 -0.871380 1.205612
H 0.339583 -1.914371 0.207510
H -2.265419 2.699073 -0.557839
H -0.972431 2.520975 0.627716
H -1.660096 -2.872477 -0.421926
H -1.790295 -1.530148 -1.557923
H -3.285772 1.862463 1.413682
H -2.082599 0.604824 1.690249
H -3.015005 -1.672614 1.279588
H -3.881138 -2.005926 -0.231140
H -4.558268 0.138425 0.580646
H -3.662757 0.409889 -0.916159
H 0.937967 1.083677 1.126198
H 3.527544 -1.679172 1.588030


