%chk=000132945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132945

0 1
 S    1.096600       1.659500     -0.2506000    
 O    1.216000       2.111000      -1.625000    
 O    1.408600       2.554600      0.8489000    
 N   -1.857300     -0.7153000      0.4046000    
 N   0.3732000      -1.204100      0.3175000    
 N  -0.3958000       1.046900     -2.4499999E-02
 N    4.496300     -0.4474000     -0.1376000    
 C   -3.015900      0.1156000      0.3251000    
 C   -4.244700     -0.6896000     -0.1774000    
 C   -3.237800      0.7338000       1.708100    
 C   -5.496800      0.1883000     -0.2959000    
 C   -3.983700      -1.354300      -1.536600    
 C  -0.5886000     -0.2208000      0.2170000    
 C    1.739500     -0.9578000      0.1675000    
 C    2.219400      0.3177000     -9.7499996E-02
 C    2.672400      -1.988800      0.2784000    
 C    3.579500      0.5369000     -0.2419000    
 C    4.018900      -1.686300      0.1199000    
 H   -2.854700      0.9311000     -0.3924000    
 H   -4.461100      -1.491000      0.5419000    
 H   -1.979800      -1.684600      0.6833000    
 H   -4.034700       1.483100       1.688800    
 H   -2.335000       1.236800       2.072500    
 H   -3.505700     -3.2099999E-02   2.444700    
 H   -5.316600       1.050800     -0.9463000    
 H   -6.333700     -0.3813000     -0.7148000    
 H   -5.820900      0.5566000      0.6818000    
 H   -4.867500      -1.904200      -1.877900    
 H   -3.733500     -0.6082000      -2.298600    
 H   -3.158400      -2.071100      -1.478900    
 H   9.7300000E-02  -2.161000      0.5080000    
 H    2.364000      -3.009000      0.4841000    
 H    3.983800       1.521800     -0.4489000    
 H    4.773000      -2.462700      0.1996000    


%chk=000132945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132945

0 1
S 1.185078 1.694457 -0.602290
O 1.084208 1.626094 -2.224671
O 1.604098 3.078322 0.121064
N -1.850920 -0.756096 0.265500
N 0.419089 -1.213491 -0.112796
N -0.421119 1.093292 0.146522
N 4.582930 -0.456334 0.447280
C -3.062854 0.109028 0.330038
C -4.284094 -0.713516 -0.180149
C -3.231243 0.687565 1.753846
C -5.603072 0.082293 -0.035570
C -4.087380 -1.157415 -1.649972
C -0.584590 -0.236131 0.084896
C 1.797324 -0.985661 0.034905
C 2.339880 0.318754 -0.043764
C 2.710057 -2.042509 0.290707
C 3.704086 0.557225 0.191832
C 4.071865 -1.728072 0.468755
H -2.868461 0.946090 -0.366681
H -4.366853 -1.623480 0.458429
H -1.938766 -1.686452 0.686109
H -4.037151 1.440064 1.779938
H -2.297030 1.187025 2.061004
H -3.476905 -0.106095 2.485774
H -5.538430 1.049904 -0.569092
H -6.440563 -0.487415 -0.477398
H -5.856013 0.287853 1.018727
H -4.917818 -1.809577 -1.976349
H -4.065334 -0.276972 -2.319754
H -3.140178 -1.707105 -1.792911
H 0.115031 -2.166906 -0.319600
H 2.365779 -3.079609 0.367519
H 4.106396 1.575162 0.170430
H 4.799251 -2.525392 0.654623


