%chk=000052470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052470

0 1
 S   -4.815200     -0.7667000      0.2458000    
 O    1.385300      -3.438200      0.6588000    
 N    2.348000      -1.468800     -0.1275000    
 N    4.062900       2.294200      3.8800001E-02
 N  -8.6400002E-02   3.563000     -0.8482000    
 C    1.071700      0.5142000      0.3842000    
 C  -0.3770000      0.1980000      0.3505000    
 C    1.928900     -0.6004000      0.9403000    
 C  -0.9131000     -0.3593000     -0.7932000    
 C   -1.147400      0.4716000       1.463400    
 C   -3.074400     -0.3881000      0.2866000    
 C   -2.275900     -0.6554000     -0.8255000    
 C   -2.510100      0.1755000       1.431100    
 C    1.534900       1.724000     -1.2700000E-02
 C    2.039100      -2.821000     -0.1779000    
 C    2.578500      -3.488400      -1.414600    
 C    2.931300       2.036800      1.6799999E-02
 C   0.6366000       2.735800     -0.4737000    
 C   -5.317700      0.2733000      -1.142900    
 H    2.837300     -0.2149000       1.414900    
 H    1.396700      -1.166900       1.713000    
 H  -0.3008000     -0.5735000      -1.664700    
 H  -0.7181000      0.9100000       2.360000    
 H    2.911300      -1.066800     -0.8718000    
 H   -2.690500      -1.102900      -1.725200    
 H   -3.116400      0.3912000       2.307400    
 H    2.492600      -4.574000      -1.314700    
 H    2.004200      -3.159900      -2.285200    
 H    3.632500      -3.232100      -1.554900    
 H   -4.887800     -8.7399997E-02  -2.080900    
 H   -5.013400       1.310900     -0.9785000    
 H   -6.407000      0.2445000      -1.234300    


%chk=000052470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052470

0 1
S -4.693069 -1.039822 -0.075170
O 1.609600 -2.889556 1.681503
N 2.230022 -1.539509 -0.103242
N 4.257229 2.591901 -0.086487
N 0.236171 4.129157 -0.713932
C 1.197147 0.729599 0.182208
C -0.217092 0.331929 0.077452
C 2.206495 -0.301291 0.688499
C -1.119895 0.948674 -0.839751
C -0.732075 -0.722565 0.897793
C -2.968548 -0.461078 -0.075127
C -2.468180 0.562204 -0.919704
C -2.080055 -1.102000 0.831739
C 1.683622 2.006948 -0.124576
C 1.955567 -2.777309 0.463806
C 2.085051 -3.976670 -0.464123
C 3.093048 2.309755 -0.090329
C 0.865787 3.144557 -0.453213
C -5.513469 0.086955 -1.333261
H 3.217233 0.141684 0.720282
H 1.956898 -0.613053 1.721676
H -0.765860 1.722449 -1.525977
H -0.082412 -1.249262 1.604828
H 2.507360 -1.484483 -1.084371
H -3.115265 1.061128 -1.646707
H -2.446491 -1.899155 1.487457
H 2.779799 -4.705579 -0.013565
H 1.102951 -4.472832 -0.551536
H 2.444109 -3.716261 -1.474442
H -5.081877 -0.064789 -2.334477
H -5.430813 1.139423 -1.021842
H -6.572387 -0.212850 -1.340208


