%chk=000022902.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022902

0 1
 S   0.8650000      -3.890600      6.5200001E-02
 O  -0.9326000       2.607700     -2.2800000E-02
 O   -4.081300      -1.708100      3.0600000E-02
 O   0.5657000      -4.524600      -1.409600    
 O    2.300900      -3.686800      0.1609000    
 O   0.1554000      -4.682900       1.054500    
 N    1.254300       1.184200     -1.9999999E-04
 N   -2.075100      -3.342700      5.3300001E-02
 C   -1.033200      0.2403000      9.2000002E-03
 C   -1.855300     -0.8885000      2.2700001E-02
 C   0.3588000      9.0200000E-02  1.3400000E-02
 C   -1.285600      -2.167300      3.9700001E-02
 C   0.1021000      -2.312200      4.3299999E-02
 C   -1.621100       1.595200     -1.0100000E-02
 C   -3.091300       1.739000     -1.3900000E-02
 C   0.9225000      -1.186000      3.0200001E-02
 C   -3.913400      0.6103000     -3.0000001E-04
 C   -3.325400     -0.7447000      1.8600000E-02
 C    2.658100       1.263400      5.0000002E-04
 C    3.361200       1.318300       1.208700    
 C    3.364000       1.288300      -1.207100    
 C   -3.661200       3.017700     -3.1700000E-02
 C   -5.305400      0.7603000     -4.6000001E-03
 C    5.451500       1.422300      1.9000000E-03
 C    4.753800       1.397700       1.209400    
 C    4.756700       1.367500      -1.206400    
 C    2.641000       1.295800       2.517900    
 C    2.647000       1.231300      -2.517100    
 C   -5.048700       3.162600     -3.6100000E-02
 C   -5.869100       2.036300     -2.2900000E-02
 C    6.940800       1.505800      2.7999999E-03
 H    2.002000      -1.301800      3.0099999E-02
 H   0.8195000       2.099800     -7.4000000E-03
 H   -3.045600       3.913100     -4.2500000E-02
 H   -5.969200     -0.1001000      5.5999998E-03
 H    5.300000       1.441600       2.148800    
 H    5.305200       1.387600      -2.145200    
 H   -3.083300      -3.281100      5.1100001E-02
 H   -1.652700      -4.259700      3.4899998E-02
 H    3.319300       1.478300       3.358600    
 H    1.874000       2.076800       2.552000    
 H    2.171900      0.3199000       2.678900    
 H    1.877700       2.008800      -2.572400    
 H    2.181200      0.2503000      -2.654900    
 H    3.326800       1.395200      -3.360300    
 H   -5.490200       4.155000     -5.0000001E-02
 H   -6.949100       2.152100     -2.6400000E-02
 H    7.365700       1.000700     -0.8714000    
 H    7.258000       2.553200     -8.7000001E-03
 H    7.363500       1.020500      0.8891000    
 H   0.9419000      -4.022600      -2.170400    


%chk=000022902-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022902

0 1
S 1.016525 -3.873442 0.363867
O -0.924922 2.682592 -0.427085
O -4.152268 -1.743769 0.353725
O 0.946602 -4.241287 -1.453559
O 2.555781 -3.647011 0.797739
O 0.123002 -4.994692 1.134268
N 1.201767 1.271251 -0.150432
N -2.092055 -3.286230 0.537160
C -1.059954 0.299171 -0.025501
C -1.898908 -0.861148 0.158979
C 0.378968 0.172825 -0.011784
C -1.322931 -2.178668 0.327815
C 0.116036 -2.232876 0.271077
C -1.658440 1.628435 -0.224870
C -3.131090 1.762914 -0.196219
C 0.943680 -1.138145 0.107718
C -3.958360 0.621424 0.003722
C -3.366574 -0.727832 0.181711
C 2.637078 1.273480 -0.103924
C 3.340908 0.909086 1.082105
C 3.337638 1.733420 -1.260948
C -3.723274 3.040846 -0.371161
C -5.368883 0.771581 0.027532
C 5.480098 1.390182 -0.074086
C 4.756223 0.969936 1.065769
C 4.748183 1.782963 -1.223191
C 2.619824 0.505913 2.356175
C 2.577919 2.157544 -2.504829
C -5.122640 3.180983 -0.344389
C -5.948285 2.042213 -0.144182
C 6.998266 1.413532 -0.072771
H 2.029182 -1.269916 0.051166
H 0.662253 2.148006 -0.351174
H -3.062352 3.899042 -0.524349
H -5.979320 -0.123100 0.181281
H 5.302490 0.692434 1.975957
H 5.289402 2.129125 -2.112676
H -3.115801 -3.118996 0.542406
H -1.652208 -4.190529 0.742227
H 3.233016 0.751191 3.240038
H 1.648669 1.021100 2.452910
H 2.419924 -0.582704 2.392039
H 1.994575 3.082817 -2.334065
H 1.856419 1.382710 -2.822338
H 3.269868 2.349697 -3.341728
H -5.577164 4.168460 -0.477915
H -7.037593 2.154334 -0.123993
H 7.408525 0.498845 -0.543378
H 7.391536 2.276255 -0.639405
H 7.402286 1.464604 0.953138
H 1.383083 -5.131167 -1.601076


