%chk=000111176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111176

0 1
 O   8.0300003E-02  -1.201500      -1.444100    
 N    2.485700     -5.0200000E-02 -0.4970000    
 N  -0.9905000      0.4693000     -0.1107000    
 C    1.278100      0.7529000     -0.6876000    
 C   0.9496000       1.595800      0.5353000    
 C  -0.5656000       1.749900      0.4515000    
 C    3.665800      0.8172000     -0.3749000    
 C    2.343300     -0.9219000      0.6776000    
 C   7.0299998E-02 -0.1549000     -0.8117000    
 C    4.944200     -8.7000001E-03 -0.2241000    
 C    3.578500      -1.804700      0.8627000    
 C    4.849000     -0.9677000      0.9571000    
 C  -0.9606000       2.933000     -0.4344000    
 C   -2.321300     -3.8400002E-02  3.7900001E-02
 C   -2.675100      -1.261200     -0.5387000    
 C   -3.273100      0.6859000      0.7607000    
 C   -3.971200      -1.756000     -0.3938000    
 C   -4.569100      0.1910000      0.9057000    
 C   -4.918100      -1.030000      0.3285000    
 H    1.338000       1.355700      -1.601700    
 H    1.161600       1.147600       1.506400    
 H    1.467100       2.561800      0.5221000    
 H  -0.9569000       1.884800       1.465600    
 H    3.586800       1.495300      0.4841000    
 H    3.763700       1.438500      -1.273400    
 H    1.489000      -1.601100      0.5946000    
 H    2.238100     -0.3801000       1.620800    
 H    5.803000      0.6587000     -9.0200000E-02
 H    5.123300     -0.5792000      -1.144400    
 H    3.661500      -2.501500      1.8800000E-02
 H    3.469900      -2.412900       1.768200    
 H    5.728400      -1.620300      0.9837000    
 H    4.842900     -0.3961000       1.893300    
 H  -0.5715000       3.869500     -2.1500001E-02
 H  -0.5778000       2.826800      -1.454900    
 H   -2.048300       3.027900     -0.5089000    
 H   -1.993600      -1.877300      -1.108800    
 H   -3.055100       1.640600       1.227000    
 H   -4.244100      -2.706900     -0.8423000    
 H   -5.307300      0.7560000       1.467400    
 H   -5.927200      -1.415200      0.4414000    


%chk=000111176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111176

0 1
O 0.062413 -1.353295 -1.079569
N 2.543375 -0.024684 -0.181621
N -1.060984 0.450798 0.002855
C 1.291772 0.710581 -0.372788
C 0.830411 1.711327 0.734076
C -0.702546 1.807831 0.536603
C 3.758634 0.805993 -0.330529
C 2.603257 -0.934835 0.984295
C 0.056222 -0.215961 -0.536731
C 5.012528 -0.082098 -0.476861
C 3.823549 -1.872566 0.867496
C 5.129814 -1.059586 0.715566
C -1.109171 2.936599 -0.439724
C -2.409575 -0.028062 0.020503
C -2.756837 -1.292826 -0.538055
C -3.437227 0.759966 0.615050
C -4.092426 -1.742190 -0.492083
C -4.767681 0.293140 0.655181
C -5.109358 -0.960566 0.102033
H 1.391761 1.261070 -1.332675
H 1.060298 1.291048 1.729961
H 1.313856 2.698922 0.651256
H -1.212097 1.951787 1.506593
H 3.905620 1.490852 0.547394
H 3.639549 1.444698 -1.227202
H 1.675862 -1.533256 1.011078
H 2.678775 -0.371255 1.952021
H 5.912694 0.558913 -0.548603
H 4.929025 -0.657547 -1.418515
H 3.682542 -2.520688 -0.017894
H 3.871278 -2.524515 1.761114
H 5.994233 -1.736140 0.577320
H 5.315924 -0.483719 1.646743
H -0.905741 3.922420 0.016484
H -0.535170 2.868313 -1.381293
H -2.181310 2.888896 -0.695575
H -1.977924 -1.905405 -0.994016
H -3.215698 1.737437 1.051904
H -4.335791 -2.718069 -0.927423
H -5.538384 0.918024 1.120594
H -6.143774 -1.318955 0.132337


