%chk=000085169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085169

0 1
 O   0.1037000     -0.8231000       1.696500    
 O  -0.9380000       2.580600      -1.165600    
 N   0.2237000      0.2199000     -0.3713000    
 N   0.2022000      -3.152600     -6.0800001E-02
 N  -0.2591000       3.506600      0.8241000    
 C   0.7981000       1.454100      0.1084000    
 C  -0.7017000      -2.017700     -0.2516000    
 C    2.138500       1.769700     -0.5651000    
 C   -2.085500      -2.348600      0.3262000    
 C  -7.9800002E-02 -0.8323000      0.4803000    
 C    3.172100      0.6929000     -0.3415000    
 C   -3.077300      -1.222300      0.1534000    
 C  -0.2105000       2.557600     -0.1756000    
 C    4.007800      0.7717000      0.7615000    
 C    3.267000     -0.3560000      -1.242700    
 C   -3.186800     -0.2574000       1.141600    
 C   -3.858000      -1.175200     -0.9901000    
 C    4.963000     -0.2235000      0.9685000    
 C    4.222100      -1.351200      -1.035500    
 C   -4.102400      0.7827000      0.9821000    
 C   -4.773500     -0.1349000      -1.149600    
 C    5.070200      -1.284900      7.0100002E-02
 C   -4.895600      0.8440000     -0.1634000    
 H   0.9485000       1.379400       1.192300    
 H  -0.7872000      -1.810900      -1.324600    
 H    1.995800       1.912900      -1.645500    
 H    2.524300       2.731200     -0.2005000    
 H   -2.485100      -3.253200     -0.1526000    
 H   -2.011400      -2.595000       1.394800    
 H   4.0000002E-03  0.1488000      -1.360500    
 H    1.092400      -2.960300     -0.5192000    
 H  -0.1819000      -3.976400     -0.5221000    
 H    3.930000       1.593300       1.467900    
 H    2.613200     -0.4172000      -2.107900    
 H   -2.583400     -0.2976000       2.043300    
 H   -3.768000      -1.931500      -1.764500    
 H    5.622700     -0.1724000       1.829800    
 H    4.305200      -2.178000      -1.734900    
 H   -4.198600       1.544000       1.750700    
 H   -5.390700     -8.6499996E-02  -2.042000    
 H   0.3448000       3.473600       1.639100    
 H  -0.9020000       4.289400      0.7667000    
 H    5.813500      -2.060100      0.2315000    
 H   -5.608400       1.654000     -0.2876000    


%chk=000085169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085169

0 1
O -0.595848 0.480275 1.938191
O 0.767654 3.986342 -0.719077
N 0.565460 0.591936 -0.065602
N 0.365104 -2.380988 0.847332
N -0.506233 3.192556 1.070896
C 1.353783 1.791667 0.293962
C -0.695370 -1.468232 0.384876
C 2.634754 1.877243 -0.570426
C -2.050066 -1.871177 1.023565
C -0.271487 -0.046437 0.821887
C 3.396840 0.560442 -0.655675
C -3.240020 -1.153580 0.402757
C 0.512140 3.102101 0.152063
C 3.849220 -0.108126 0.513502
C 3.659091 -0.036098 -1.915818
C -3.772921 0.022108 0.991858
C -3.829331 -1.638706 -0.794218
C 4.539548 -1.336843 0.424916
C 4.352583 -1.266083 -2.010383
C -4.867428 0.693303 0.400586
C -4.921858 -0.969272 -1.389700
C 4.793146 -1.922548 -0.839167
C -5.445283 0.201195 -0.792729
H 1.607905 1.683501 1.366831
H -0.827526 -1.465005 -0.727706
H 2.355504 2.238631 -1.576410
H 3.268728 2.672243 -0.136050
H -2.165298 -2.965951 0.893796
H -1.976870 -1.663441 2.104934
H 0.755811 0.156041 -0.971401
H 1.315803 -2.186408 0.524200
H 0.116928 -3.371751 0.863111
H 3.660318 0.333978 1.499715
H 3.327838 0.472722 -2.829925
H -3.318176 0.405759 1.912169
H -3.437516 -2.554875 -1.255533
H 4.883368 -1.835076 1.338360
H 4.549741 -1.706526 -2.994317
H -5.270973 1.597176 0.871422
H -5.368014 -1.360739 -2.311206
H -0.700132 2.390623 1.692628
H -1.130006 3.998880 1.034142
H 5.332121 -2.873950 -0.908536
H -6.295128 0.720693 -1.249720


