%chk=000083922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083922

0 1
 S   -4.500500      0.7417000     -0.3813000    
 O   -2.062100      -2.309900       2.357500    
 O    2.257500       1.924000       1.666300    
 O    1.850400     -0.7529000     -0.8145000    
 O    3.333300      -2.965800     -0.4199000    
 N   -1.705300     -0.6470000      0.7463000    
 N   -3.121800      -2.329800      0.2683000    
 N    2.918200       1.789300     -0.5554000    
 N    3.648000      0.6450000     -0.3556000    
 N    4.305200      -4.018700     -0.1538000    
 C   -2.123800     -0.3803000     -0.6168000    
 C   -3.155900      -1.491100     -0.9137000    
 C   -2.762500      0.9951000     -0.8271000    
 C   -4.545300     -0.8985000      -1.137900    
 C   -2.134300       2.139300     -4.8799999E-02
 C  -0.6521000       2.298800     -0.3874000    
 C   -2.273800      -1.819300       1.257000    
 C  -1.6000001E-02   3.431600      0.4235000    
 C    1.474300       3.596600      0.1321000    
 C    2.256700       2.356800      0.5154000    
 C    3.027300     -0.5806000     -0.5081000    
 C    3.982700      -1.724300     -0.2463000    
 H   -1.234400     -0.4970000      -1.246600    
 H   -2.859300      -2.115800      -1.762800    
 H   -2.746600       1.233500      -1.897900    
 H   -4.732800     -0.7666000      -2.208400    
 H   -5.350600      -1.506400     -0.7156000    
 H   -2.246300       1.987600       1.032500    
 H   -2.656000       3.075700     -0.2862000    
 H   -1.012100     -0.1047000       1.251900    
 H   -3.643400      -3.195100      0.3672000    
 H  -0.5411000       2.510700      -1.457900    
 H  -0.1127000       1.368700     -0.1906000    
 H  -0.1602000       3.237000       1.493500    
 H  -0.5275000       4.375100      0.1986000    
 H    1.622300       3.841800     -0.9256000    
 H    1.877500       4.432700      0.7148000    
 H    2.901900       2.160200      -1.499500    
 H    4.624300      0.7604000     -0.1053000    
 H    4.351100      -1.626200      0.7826000    
 H    4.821600      -1.630800     -0.9473000    
 H    5.055000      -3.802800     -0.8082000    
 H    4.623400      -3.798000      0.7882000    


%chk=000083922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083922

0 1
S -4.019603 0.018155 0.653852
O -0.341387 -3.271573 0.303979
O 2.758548 2.775442 1.570000
O 1.674807 -0.273759 0.173560
O 3.701997 -2.579977 -0.024119
N -0.941255 -1.078670 -0.386056
N -2.382449 -2.738148 -0.797111
N 3.045082 1.983261 -0.603131
N 3.689086 0.821457 -0.158822
N 2.604395 -3.530477 0.178232
C -1.986792 -0.417219 -1.168263
C -3.048884 -1.579492 -1.400073
C -2.679898 0.787181 -0.465604
C -4.400785 -1.197950 -0.735063
C -1.767253 1.722414 0.346212
C -0.623846 2.364659 -0.482792
C -1.141176 -2.441575 -0.227411
C 0.042010 3.540139 0.277285
C 1.481497 3.872344 -0.220009
C 2.472355 2.857444 0.346912
C 2.930677 -0.251275 0.310859
C 3.723625 -1.400072 0.911966
H -1.580183 -0.061123 -2.138014
H -3.219170 -1.746706 -2.482540
H -3.220349 1.366228 -1.241796
H -5.070303 -0.709526 -1.465169
H -4.905891 -2.075531 -0.301470
H -1.328289 1.156883 1.189809
H -2.394033 2.523393 0.786521
H -0.028040 -0.671638 -0.150274
H -2.740486 -3.688912 -0.818427
H -1.013577 2.729342 -1.456091
H 0.136864 1.591976 -0.704795
H 0.105163 3.304854 1.356867
H -0.588109 4.445318 0.185394
H 1.511918 3.908289 -1.326480
H 1.781318 4.866285 0.158007
H 2.688105 1.961152 -1.562026
H 4.688656 0.891450 0.042432
H 3.289862 -1.672607 1.891537
H 4.793835 -1.152216 1.029530
H 2.685845 -3.921140 1.134530
H 1.670411 -3.088077 0.045250


