%chk=000006232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006232

0 1
 S  -2.0500001E-02  0.3239000     -0.7039000    
 O  -0.3540000       1.898300     -0.4222000    
 O  -0.1590000      0.1016000      -2.135200    
 N  -0.8825000     -0.2693000      0.4348000    
 C    1.660400      0.1034000     -0.2875000    
 C    2.166800      -1.181200     -8.9800000E-02
 C    2.497300       1.211300     -0.1521000    
 C    4.346400     -0.2504000      0.3788000    
 C    3.509800      -1.358000      0.2435000    
 C    3.840200       1.034400      0.1810000    
 C   -2.343600     -0.2316000      0.3673000    
 C    5.782500     -0.4392000      0.7345000    
 C   -3.035500      -1.284500     -0.2238000    
 C   -3.032000      0.8571000      0.8946000    
 C   -4.428400      -1.248600     -0.2885000    
 C   -4.424900      0.8928000      0.8300000    
 C   -5.123100     -0.1600000      0.2385000    
 H    1.527300      -2.053400     -0.1958000    
 H    2.131600       2.221700     -0.3091000    
 H    3.892900      -2.364100      0.3925000    
 H    4.483200       1.904900      0.2800000    
 H    6.161100      0.4103000       1.313000    
 H    5.922800      -1.333800       1.350600    
 H    6.384200     -0.5411000     -0.1741000    
 H   -2.505200      -2.138300     -0.6380000    
 H   -2.503900       1.681400       1.366200    
 H  -0.2698000       2.189200      0.5163000    
 H   -4.972100      -2.068300     -0.7490000    
 H   -4.966200       1.739500       1.242100    
 H   -6.207600     -0.1322000      0.1887000    


%chk=000006232-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006232

0 1
S -0.011615 0.790905 -0.623826
O 0.133690 2.694303 -0.220543
O -0.188094 0.757086 -2.259425
N -0.948096 -0.129540 0.452542
C 1.719781 0.338374 -0.131461
C 1.992478 -0.133422 1.162548
C 2.704897 0.512237 -1.116721
C 4.369816 -0.296997 0.513732
C 3.332476 -0.449410 1.472438
C 4.035834 0.185877 -0.779024
C -2.358497 -0.216860 0.281014
C 5.800504 -0.668631 0.856470
C -3.072371 -0.049547 -0.944825
C -3.069282 -0.590818 1.459914
C -4.467839 -0.245097 -0.970687
C -4.460886 -0.804557 1.410479
C -5.170053 -0.626239 0.198411
H 1.185245 -0.255020 1.888611
H 2.435623 0.877153 -2.112996
H 3.574004 -0.817501 2.476105
H 4.824051 0.312700 -1.529594
H 6.525057 -0.090700 0.257369
H 6.020223 -0.494401 1.924090
H 5.986577 -1.741204 0.653860
H -2.531750 0.216579 -1.859802
H -2.508945 -0.707849 2.392922
H -0.516336 3.137163 -0.841570
H -5.010312 -0.109662 -1.913273
H -4.994245 -1.097632 2.321593
H -6.253735 -0.781490 0.165049


