%chk=000047242.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047242

2 1
 O    1.008800      0.5382000      0.3910000    
 N   -2.417700     -0.7827000     -3.6400001E-02
 N    4.711800      0.6574000     -5.6200001E-02
 C   -3.793700     -0.3476000      0.4858000    
 C   -1.359200      0.1489000      0.4282000    
 C   -2.478100     -0.8174000      -1.569600    
 C   -2.146100      -2.208100      0.4633000    
 C   -4.120500       1.033900     -6.1200000E-02
 C  -1.3400000E-02 -0.3293000     -8.0300003E-02
 C   -3.591300      -1.745700      -2.003400    
 C   -2.081600      -2.202300       1.975000    
 C    3.345900       1.080700      0.4647000    
 C   -5.464700       1.530300      0.4699000    
 C    2.291900      0.1272000     -6.2500000E-02
 C    5.033500     -0.7436000      0.4433000    
 C    4.698400      0.6628000      -1.578000    
 C    5.769400       1.630200      0.4453000    
 C   -5.785500       2.925700     -4.1499998E-02
 C    6.392100      -1.158600     -7.7500001E-02
 H   -3.722500     -0.2535000       1.573900    
 H   -4.550800      -1.106100      0.2701000    
 H   -1.522800       1.140300     -5.7000001E-03
 H   -1.388500      0.2767000       1.514800    
 H   -1.544400      -1.248700      -1.942400    
 H   -2.561300      0.1952000      -1.972000    
 H   -1.254900      -2.621900     -1.4800000E-02
 H   -2.994200      -2.843900      0.1958000    
 H   -3.376900       1.780500      0.2286000    
 H   -4.196100       1.041100      -1.151500    
 H   4.0100001E-02 -0.3161000      -1.171800    
 H   0.2370000      -1.328800      0.2806000    
 H   -3.599300      -1.755200      -3.101700    
 H   -3.452000      -2.791500      -1.723600    
 H   -4.594300      -1.416300      -1.725300    
 H   -1.885700      -3.229500       2.308400    
 H   -3.015700      -1.918200       2.463800    
 H   -1.261100      -1.606800       2.381600    
 H    3.378100       1.077600       1.560900    
 H    3.150700       2.108700      0.1360000    
 H   -5.451000       1.546200       1.566100    
 H   -6.262100      0.8423000      0.1654000    
 H    2.263900      0.1111000      -1.155400    
 H    2.440600     -0.8893000      0.3080000    
 H    4.300100      -1.454200      5.7100002E-02
 H    5.004100     -0.7360000       1.538300    
 H    4.170900       1.559900      -1.917800    
 H    5.726300      0.7077000      -1.950700    
 H    4.212200     -0.2420000      -1.953500    
 H    5.871800       1.509200       1.527800    
 H    6.719900       1.455200     -6.4499997E-02
 H    5.430600       2.645300      0.2139000    
 H   -5.838000       2.941200      -1.134800    
 H   -5.024800       3.645800      0.2767000    
 H   -6.752100       3.259000      0.3492000    
 H    6.589700      -2.186000      0.2526000    
 H    6.461700      -1.177200      -1.167900    
 H    7.211900     -0.5587000      0.3260000    


%chk=000047242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047242

2 1
O 1.057548 0.075766 0.020728
N -2.590338 -0.959870 -0.131461
N 4.794251 0.726327 -0.073991
C -3.753317 -0.156647 0.533496
C -1.283244 -0.182462 0.093839
C -2.833992 -1.119420 -1.661482
C -2.533361 -2.374541 0.515612
C -4.078601 1.217860 -0.073808
C 0.006307 -0.864938 -0.402664
C -4.180153 -1.735654 -2.058652
C -2.149966 -2.413704 1.999669
C 3.285448 0.778999 0.246973
C -5.265736 1.857725 0.699967
C 2.413640 -0.328625 -0.377581
C 5.400037 -0.605389 0.468548
C 5.032221 0.855716 -1.579770
C 5.441805 1.925144 0.629716
C -5.648245 3.239320 0.128901
C 6.917976 -0.742913 0.318174
H -3.471550 -0.043727 1.594035
H -4.636521 -0.815849 0.485296
H -1.390512 0.788953 -0.413648
H -1.192155 0.007278 1.175269
H -2.006654 -1.746292 -2.035996
H -2.726112 -0.110331 -2.093089
H -1.825557 -2.964859 -0.091922
H -3.536277 -2.807644 0.373037
H -3.215028 1.907208 -0.012461
H -4.363629 1.132074 -1.139216
H 0.025623 -0.982316 -1.505051
H 0.172973 -1.854202 0.070494
H -4.209018 -1.785652 -3.161720
H -4.315122 -2.766926 -1.693563
H -5.044009 -1.127015 -1.746043
H -2.160389 -3.471784 2.316119
H -2.869102 -1.886567 2.647169
H -1.136556 -2.027907 2.203211
H 3.186445 0.744828 1.345051
H 2.913947 1.757112 -0.103131
H -4.998829 1.959865 1.770640
H -6.143743 1.183266 0.654055
H 2.494108 -0.357319 -1.483751
H 2.647531 -1.332936 0.030176
H 4.888247 -1.414826 -0.078854
H 5.101654 -0.653770 1.530808
H 4.465418 1.720677 -1.957545
H 6.103854 1.014698 -1.764028
H 4.707810 -0.063593 -2.088695
H 5.305617 1.823011 1.717181
H 6.512804 1.956000 0.388809
H 4.958751 2.848670 0.275429
H -5.956320 3.167593 -0.930146
H -4.805262 3.951648 0.192751
H -6.492515 3.672107 0.691678
H 7.199790 -1.737137 0.708137
H 7.254526 -0.710366 -0.731143
H 7.484584 -0.003560 0.906543


