%chk=000163538.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163538

0 1
 O    3.150300       1.169800     -0.4029000    
 N   -1.868000       1.510600      3.9999999E-02
 N   0.9744000      0.4798000     -0.4470000    
 N    2.713900     -0.9144000      0.4196000    
 C   -1.449200      0.2027000     -5.7700001E-02
 C   -2.577400     -0.6035000      0.1084000    
 C  -0.1711000     -0.3229000     -0.2782000    
 C   -3.686000      0.2657000      0.3087000    
 C   -3.218300       1.558700      0.2610000    
 C   -2.424800      -2.003200      5.2000001E-02
 C  -4.4199999E-02  -1.713900     -0.3304000    
 C    2.260800      0.1752000     -0.1189000    
 C   -1.035400       2.689600     -6.8599999E-02
 C   -1.152400      -2.543100     -0.1681000    
 C    4.362600      0.7605000      0.2098000    
 C    4.164700     -0.7116000      0.4723000    
 H   -4.715700     -2.2500001E-02  0.4700000    
 H   -3.739900       2.500600      0.3663000    
 H   0.8091000       1.443600     -0.6962000    
 H   -3.280500      -2.661200      0.1744000    
 H   0.9034000      -2.198700     -0.5441000    
 H  -0.6645000       2.766000      -1.093200    
 H   -1.640900       3.575200      0.1480000    
 H  -0.2351000       2.633700      0.6726000    
 H   -1.031300      -3.621700     -0.2232000    
 H    4.499900       1.329900       1.135100    
 H    5.209900      0.9526000     -0.4547000    
 H    4.643700      -1.320500     -0.3024000    
 H    4.577400      -1.006900       1.441600    


%chk=000163538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163538

0 1
O 3.159946 1.292438 0.062991
N -1.939397 1.563162 -0.014078
N 0.980754 0.512782 0.074160
N 2.867797 -1.040811 0.088255
C -1.480164 0.225560 0.018378
C -2.644094 -0.624720 0.006915
C -0.165960 -0.333700 0.056325
C -3.806226 0.235920 -0.031029
C -3.346247 1.546451 -0.042099
C -2.500306 -2.037945 0.028096
C -0.049957 -1.742448 0.075477
C 2.305884 0.140556 0.077798
C -1.151493 2.798920 -0.024142
C -1.203444 -2.574703 0.060401
C 4.548396 0.739234 0.128723
C 4.346570 -0.816522 0.053288
H -4.847617 -0.079869 -0.048405
H -3.901670 2.483170 -0.069453
H 0.845353 1.521362 0.096895
H -3.382976 -2.685812 0.018343
H 0.952602 -2.176928 0.103076
H -0.486165 2.855684 -0.907060
H -1.839267 3.657704 -0.080455
H -0.556328 2.917892 0.902337
H -1.060493 -3.660894 0.075982
H 4.994936 1.073743 1.080424
H 5.111170 1.155404 -0.722132
H 4.761189 -1.241209 -0.879298
H 4.822608 -1.334320 0.904487


