%chk=000065135.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065135

1 1
 S    5.008300      -3.338000      0.6102000    
 O   -2.490800       1.420800      0.1384000    
 O    2.264900     -0.9045000      -3.104300    
 O   8.7300003E-02 -0.8609000      -2.454400    
 N   0.1319000       5.378000      9.5200002E-02
 N   -5.299700      -2.444100      0.1806000    
 N    6.811400      -1.127000      0.6025000    
 C  -8.0300003E-02 -0.1236000      0.2533000    
 C  -1.7000001E-02   1.235500      0.2132000    
 C   -1.426500     -0.7516000      0.2359000    
 C   -1.249300       2.040200      0.1545000    
 C   -2.563000      5.4800000E-02  0.1789000    
 C    1.158800     -0.9076000      0.3113000    
 C    1.262600       1.960000      0.2258000    
 C   -1.606700      -2.144200      0.2746000    
 C   -1.209500       3.380800      0.1157000    
 C   -3.846700     -0.4994000      0.1604000    
 C   8.7800004E-02   4.095200      0.1310000    
 C   -4.008000      -1.880900      0.1991000    
 C    1.331800       3.297000      0.1875000    
 C   -2.887600      -2.703500      0.2563000    
 C    1.798800      -1.327100     -0.8489000    
 C    1.679300      -1.220600       1.561700    
 C    2.975900      -2.070000     -0.7580000    
 C    2.856400      -1.963300       1.652700    
 C    3.504700      -2.388200      0.4930000    
 C   -1.106700       6.196200      3.8300000E-02
 C    1.423700       6.111300      0.1089000    
 C   -5.474900      -3.882900      0.2209000    
 C   -6.472300      -1.592400      0.1352000    
 C    1.278400      -1.014800      -2.174900    
 C    6.077200      -2.025300      0.6054000    
 H    2.199900       1.415800      0.2661000    
 H  -0.7580000      -2.822200      0.3188000    
 H   -2.146000       3.925000      7.3299997E-02
 H   -4.690400      0.1833000      0.1151000    
 H    2.309300       3.763600      0.1993000    
 H   -2.954500      -3.786600      0.2885000    
 H    1.186100     -0.8979000       2.475300    
 H    3.484100      -2.421200      -1.653600    
 H    3.252800      -2.201800       2.636700    
 H   -1.652400       5.952900     -0.8779000    
 H   -1.702700       6.003100      0.9350000    
 H  -0.8508000       7.259100      1.6000001E-02
 H    1.241400       7.188800      7.3299997E-02
 H    2.002600       5.829000     -0.7751000    
 H    1.954000       5.880700       1.037400    
 H   -5.005200      -4.363100     -0.6447000    
 H   -6.533900      -4.162900      0.1951000    
 H   -5.062900      -4.305600       1.144000    
 H   -6.521600     -0.9396000       1.013800    
 H   -7.398300      -2.178000      0.1300000    
 H   -6.484200     -0.9839000     -0.7760000    
 H    1.907300     -0.6936000      -3.993100    


%chk=000065135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065135

1 1
S 5.247762 -3.296635 0.146916
O -2.443253 1.481361 0.173395
O 2.101766 -1.365455 -3.514323
O 0.260872 -0.258513 -2.634170
N -0.046417 5.658670 0.061867
N -5.150161 -2.500084 0.343277
N 5.780196 -3.670188 3.011787
C -0.021372 -0.037199 0.074807
C 0.020893 1.387620 0.087587
C -1.282580 -0.695997 0.156417
C -1.207091 2.139377 0.126632
C -2.494555 0.081490 0.197852
C 1.251551 -0.832653 0.071338
C 1.230757 2.160426 0.042198
C -1.448705 -2.122509 0.180975
C -1.255097 3.531073 0.120064
C -3.766159 -0.482915 0.260124
C -0.035730 4.281411 0.072206
C -3.907919 -1.908125 0.284029
C 1.214158 3.547001 0.036085
C -2.701991 -2.712666 0.243825
C 1.911673 -1.245061 -1.125607
C 1.830058 -1.186669 1.314452
C 3.116498 -1.987861 -1.060648
C 3.029494 -1.926623 1.386742
C 3.666729 -2.323058 0.192234
C -1.328431 6.392423 0.090016
C 1.217179 6.426213 0.019493
C -5.287118 -3.972602 0.363156
C -6.369746 -1.667099 0.383237
C 1.326304 -0.896839 -2.455271
C 5.539643 -3.503801 1.849846
H 2.189774 1.633975 0.013874
H -0.556909 -2.756137 0.150934
H -2.232766 4.014253 0.150376
H -4.627228 0.186439 0.285272
H 2.161748 4.088472 0.000829
H -2.773935 -3.802077 0.261272
H 1.338610 -0.879435 2.243224
H 3.593715 -2.286920 -1.998395
H 3.451102 -2.183979 2.364059
H -1.956021 6.135583 -0.784083
H -1.897845 6.170666 1.012442
H -1.131645 7.473459 0.062390
H 0.987116 7.500988 0.033926
H 1.789531 6.212527 -0.902367
H 1.854160 6.203113 0.895318
H -4.864263 -4.429906 -0.550573
H -6.353395 -4.235513 0.410659
H -4.788359 -4.412909 1.246431
H -6.377238 -1.010251 1.273483
H -7.255070 -2.316724 0.431416
H -6.454847 -1.037328 -0.522424
H 1.681357 -1.118006 -4.381301


