%chk=000107858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107858

0 1
 O  -1.6899999E-02  0.3595000      -2.657600    
 N   -3.217200      -1.371300      0.5216000    
 N   0.8474000       2.023400     -0.9619000    
 N   0.2907000      -1.857800      -2.222400    
 C   0.4333000     -0.2730000     -0.3140000    
 C  -0.7898000      -1.025500      0.3500000    
 C   -2.179400     -0.6017000     -0.1603000    
 C    1.814200     -0.7932000      0.1771000    
 C   0.3863000       1.250600      8.8999998E-03
 C   0.2381000     -0.5295000      -1.845000    
 C   -4.539700     -0.9776000      5.9700001E-02
 C    1.900100      -1.249400       1.459800    
 C    2.854200     -0.7607000     -0.7053000    
 C  -0.1092000       1.605900       1.218700    
 C   -4.776200      0.5049000      0.3340000    
 C   -5.594800      -1.837500      0.7482000    
 C    3.138700      -1.715700       1.900300    
 C    4.092700      -1.227200     -0.2649000    
 C  -0.1376000       2.972000       1.475800    
 C    4.235000      -1.704800       1.037900    
 C   0.8042000       3.344100     -0.6762000    
 C   0.3260000       3.864400      0.5155000    
 H  -0.8010000     -0.9456000       1.441300    
 H  -0.6802000      -2.105600      0.1738000    
 H   -2.290500      0.4673000      2.7600000E-02
 H   -2.257900     -0.7674000      -1.239800    
 H   -3.072300      -2.366600      0.3533000    
 H   -4.627300      -1.155200      -1.019900    
 H    1.082500      -1.255400       2.167700    
 H    2.776600     -0.3725000      -1.714400    
 H  -0.4442000      0.9375000       1.996700    
 H   -5.835900      0.7516000      0.1979000    
 H   -4.511100      0.7776000       1.362000    
 H   -4.225200       1.152300     -0.3554000    
 H   -5.437000      -2.900900      0.5365000    
 H   -6.598500      -1.576700      0.3954000    
 H   -5.575800      -1.702300       1.835700    
 H   0.5086000      -2.606300      -1.573300    
 H   0.1482000      -2.126600      -3.190200    
 H    3.251500      -2.082500       2.916500    
 H    4.948000      -1.213100     -0.9343000    
 H  -0.5128000       3.340900       2.425700    
 H    5.200000      -2.065700       1.381700    
 H    1.177800       3.997700      -1.457600    
 H   0.3152000       4.933300      0.6951000    


%chk=000107858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107858

0 1
O -0.574682 0.085434 -2.663033
N -3.218891 -1.106090 0.714358
N 1.068084 1.923631 -0.817424
N 1.074152 -1.534582 -2.561675
C 0.379582 -0.415571 -0.427208
C -0.814860 -1.237934 0.157663
C -2.223099 -0.856259 -0.360172
C 1.739350 -0.930683 0.126936
C 0.262924 1.090960 -0.086599
C 0.273766 -0.564771 -1.987717
C -4.641920 -0.861885 0.340389
C 1.825437 -1.930507 1.131573
C 2.955520 -0.379201 -0.369879
C -0.583237 1.586630 0.936797
C -4.905713 0.649233 0.164212
C -5.547512 -1.453937 1.439299
C 3.078564 -2.367047 1.622002
C 4.205011 -0.815065 0.118306
C -0.585313 2.971702 1.215644
C 4.275476 -1.814476 1.117405
C 1.051720 3.256094 -0.544991
C 0.245222 3.830599 0.463476
H -0.823392 -1.114965 1.257764
H -0.625841 -2.310338 -0.041494
H -2.252534 0.210590 -0.634029
H -2.449650 -1.416372 -1.297831
H -3.116871 -2.065737 1.082212
H -4.889425 -1.367938 -0.628258
H 0.919874 -2.379514 1.548620
H 2.901762 0.415637 -1.120925
H -1.244635 0.918410 1.495977
H -5.968761 0.827608 -0.081622
H -4.662045 1.183107 1.100979
H -4.296409 1.080941 -0.649118
H -5.385300 -2.543767 1.553223
H -6.613073 -1.295401 1.195573
H -5.332607 -0.969379 2.409375
H 1.821013 -1.988662 -2.037570
H 0.987027 -1.693574 -3.565199
H 3.115028 -3.138593 2.399688
H 5.124708 -0.370636 -0.279163
H -1.232968 3.371245 2.003549
H 5.245946 -2.152421 1.497855
H 1.709372 3.879479 -1.162275
H 0.268002 4.909705 0.645209


