%chk=000005387.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005387

0 1
 S   -2.547700      -3.548300     -0.8973000    
 O    1.029900      -1.122300      -1.602100    
 O   -2.995200      -1.259600       2.928300    
 N    2.792200      0.4258000     -0.5102000    
 N    5.148500     -0.1101000       1.077000    
 N  -0.7805000     -3.9700001E-02 -0.5602000    
 N   -2.623800      0.6588000       1.790300    
 C    2.759400     -0.5286000      0.6046000    
 C    3.798100       1.466400     -0.2639000    
 C    4.141900      -1.150100      0.8310000    
 C    5.180800      0.8458000     -3.6600001E-02
 C    1.473800       1.018700     -0.7251000    
 C   0.5428000     -0.1369000      -1.039400    
 C    6.467000     -0.7039000       1.289900    
 C   -1.554800      -1.205100     -0.4185000    
 C   -1.475000       1.199000     -0.3765000    
 C   -2.433400      -1.500500      0.6743000    
 C   -2.292800       1.510900      0.7205000    
 C   -1.525500      -2.253200      -1.325500    
 C   -2.672700     -0.7144000       1.870600    
 C   -1.306700       2.188500      -1.373700    
 C   -3.020300      -2.747400      0.5280000    
 C   -2.812700       2.818100      0.8430000    
 C  -0.8301000      -2.360400      -2.633300    
 C   -1.860800       3.463200      -1.258700    
 C   -2.602600       3.785100     -0.1364000    
 H    2.072500      -1.366200      0.4521000    
 H    2.435000     -2.6799999E-02   1.527500    
 H    3.522100       2.081100      0.6038000    
 H    3.858800       2.135200      -1.131100    
 H    4.416600      -1.766200     -3.6100000E-02
 H    4.082400      -1.816900       1.700000    
 H    5.888200       1.653300      0.1885000    
 H    5.523100      0.3596000     -0.9603000    
 H    1.141100       1.575800      0.1571000    
 H    1.498300       1.684000      -1.594100    
 H    7.205800      7.2499998E-02   1.517600    
 H    6.815300      -1.265500      0.4155000    
 H    6.448700      -1.382000       2.150200    
 H  -0.7328000       1.969700      -2.272700    
 H   -2.992900       1.128700       2.614600    
 H   -3.711500      -3.233100       1.203500    
 H   -3.417700       3.090100       1.706900    
 H  -0.6676000      -1.390600      -3.113800    
 H   9.5299996E-02  -2.940600      -2.561300    
 H   -1.458500      -2.904700      -3.352000    
 H   -1.702600       4.198600      -2.041500    
 H   -3.029400       4.777000     -2.5699999E-02


%chk=000005387-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005387

0 1
S -3.311599 -3.426294 -1.315943
O 0.858751 -1.733854 -0.790550
O -3.306257 -1.268463 2.793392
N 2.792468 0.253254 -0.134616
N 5.434698 0.142322 1.053259
N -0.930400 -0.244274 -0.647636
N -2.409144 0.569335 1.735878
C 3.076111 -0.634278 1.024209
C 3.676296 1.445779 -0.108463
C 4.553920 -1.051147 1.022517
C 5.152454 1.016795 -0.108569
C 1.381706 0.630162 -0.259926
C 0.456583 -0.556115 -0.602555
C 6.862425 -0.214340 1.152385
C -1.902686 -1.302148 -0.677897
C -1.443614 1.100220 -0.503599
C -2.795994 -1.536833 0.446015
C -2.148015 1.477965 0.674550
C -2.033090 -2.207391 -1.720143
C -2.848790 -0.772908 1.718319
C -1.252311 2.042768 -1.539821
C -3.613636 -2.640692 0.254518
C -2.574241 2.825939 0.816605
C -1.250070 -2.307332 -2.993666
C -1.681283 3.378272 -1.393589
C -2.331251 3.770868 -0.199537
H 2.444115 -1.532625 0.939623
H 2.846620 -0.115485 1.989687
H 3.489493 2.077521 0.797124
H 3.474251 2.061095 -1.006293
H 4.746757 -1.679657 0.116633
H 4.760852 -1.666335 1.918100
H 5.795273 1.915227 -0.043233
H 5.375706 0.499710 -1.077416
H 0.970274 1.117731 0.665358
H 1.298055 1.390970 -1.058243
H 7.471917 0.703732 1.237281
H 7.236513 -0.797889 0.272320
H 7.031009 -0.821697 2.059890
H -0.755424 1.714192 -2.459350
H -2.562350 0.991244 2.658842
H -4.348918 -3.043505 0.947510
H -3.113296 3.122819 1.724332
H -0.907780 -1.303504 -3.302664
H -0.344306 -2.922778 -2.842881
H -1.847059 -2.740416 -3.814647
H -1.516354 4.100351 -2.199316
H -2.668378 4.804490 -0.068994


