%chk=000051244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051244

0 1
 S    5.071500     -0.8009000      0.9888000    
 O   -3.301700       1.948400       1.267000    
 N    1.261300       1.733300     -0.9764000    
 N   0.6363000     -0.3873000     -8.1100002E-02
 N    2.878600      0.2808000     -5.7799999E-02
 N   -3.540700     -0.1075000      0.2189000    
 N    2.677400      -1.769300       1.102600    
 C    2.327500       2.694500      -1.219200    
 C    3.387500       2.028100      -2.095500    
 C    1.718000       3.899600      -1.934700    
 C    2.918300       3.110600      0.1276000    
 C    1.559500      0.6154000     -0.3738000    
 C  -0.7744000     -0.3186000      7.0000002E-03
 C   -1.595000      -1.341100     -0.4881000    
 C   -2.991800      -1.192500     -0.3595000    
 C   -1.337000      0.8007000      0.6035000    
 C   -1.056300      -2.487100      -1.097300    
 C   -2.713600      0.8568000      0.6838000    
 C   -3.806500      -2.208600     -0.8515000    
 C   -1.894500      -3.487800      -1.580400    
 C   -3.271300      -3.348000      -1.457200    
 C    3.393900     -0.7704000      0.6539000    
 C   -4.723200       1.955700       1.323800    
 C   -5.182800       3.224300       2.010200    
 C    4.845400      -2.286800       1.814700    
 C    3.513600      -2.642400       1.771000    
 H    3.526800       2.611600      -3.016400    
 H    4.388000       2.021800      -1.646000    
 H    3.131300       1.024900      -2.454900    
 H   0.9353000       4.364900      -1.324200    
 H    1.253200       3.603600      -2.882400    
 H    2.474100       4.662500      -2.150700    
 H    3.523900       2.403500      0.6920000    
 H    3.572200       3.980700     -1.8300001E-02
 H    2.118500       3.436500      0.8054000    
 H    1.001700      -1.322400      6.7000002E-02
 H  -0.7313000       1.604600       1.008600    
 H   1.4000000E-02  -2.628600      -1.220400    
 H    3.624700      0.8939000     -0.3321000    
 H   -4.888300      -2.122800     -0.7671000    
 H   -1.475200      -4.371000      -2.052500    
 H   -3.932800      -4.123600      -1.831900    
 H   -5.141700       1.925700      0.3106000    
 H   -5.083900       1.091700       1.894900    
 H   -6.274000       3.263100       2.071100    
 H   -4.770000       3.286400       3.022500    
 H   -4.827700       4.106700       1.467500    
 H    5.668800      -2.811700       2.277300    
 H    3.096200      -3.536200       2.214500    


%chk=000051244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051244

0 1
S 5.274015 -1.563542 -0.259741
O -3.397076 2.179717 -0.006031
N 1.365609 1.904092 -0.200116
N 0.720868 -0.383244 -0.032360
N 3.026250 0.120190 -0.204706
N -3.557835 -0.169514 0.155176
N 2.699336 -2.269240 -0.047677
C 2.302359 3.056750 -0.350475
C 3.019617 3.028925 -1.733119
C 1.397993 4.316266 -0.296592
C 3.330648 3.155339 0.819251
C 1.666249 0.638761 -0.148372
C -0.679695 -0.272267 0.028326
C -1.450306 -1.509697 0.142149
C -2.891726 -1.390474 0.202115
C -1.366794 0.945534 -0.016237
C -0.869421 -2.815506 0.196894
C -2.795120 0.925908 0.049496
C -3.686429 -2.573645 0.314107
C -1.671159 -3.958752 0.306651
C -3.090764 -3.837684 0.365790
C 3.467381 -1.186619 -0.159484
C -4.882515 2.209964 0.055987
C -5.285772 3.679133 -0.037738
C 4.819936 -3.309160 -0.130538
C 3.452301 -3.450064 -0.032247
H 3.604454 3.955978 -1.873802
H 3.712867 2.175126 -1.854153
H 2.269914 2.965229 -2.541198
H 0.873674 4.366636 0.673643
H 0.633228 4.264134 -1.090631
H 1.992558 5.238665 -0.431248
H 4.128457 2.387741 0.790148
H 3.833894 4.138507 0.788735
H 2.809314 3.063359 1.788416
H 1.132997 -1.336504 0.002776
H -0.823535 1.884787 -0.099491
H 0.217812 -2.946803 0.154129
H 3.737762 0.846479 -0.267809
H -4.772426 -2.444548 0.356506
H -1.205795 -4.949768 0.347468
H -3.712519 -4.735888 0.451473
H -5.286946 1.605395 -0.776566
H -5.209486 1.739715 1.001648
H -6.386752 3.770453 0.005532
H -4.854273 4.259119 0.796329
H -4.935719 4.122663 -0.985908
H 5.593996 -4.071902 -0.137752
H 2.932374 -4.404045 0.056045


