%chk=000047692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047692

0 1
 O    1.112700      -2.146500      -1.734400    
 N    1.506700      -1.123100      0.3229000    
 N   -1.053700      0.2669000      0.5677000    
 N    4.325700       1.255600     -0.1411000    
 C    2.874000     -0.7302000      1.8800000E-02
 C   0.9867000     -0.7799000       1.642500    
 C   3.3799998E-02  0.4081000       1.560900    
 C    2.994500      0.7905000      0.1426000    
 C   0.7238000      -1.775000     -0.6292000    
 C   -1.513600      -1.046500      0.3052000    
 C  -0.6893000      -2.039700     -0.2640000    
 C    3.820900      -1.462600      0.9687000    
 C   -1.729100       1.453200      0.1687000    
 C   -2.852200      -1.389800      0.5821000    
 C   -1.194300      -3.314400     -0.5592000    
 C    4.438000       2.709200      5.5100001E-02
 C    4.731700      0.9126000      -1.512700    
 C   -3.349000      -2.664200      0.3004000    
 C   -2.521200      -3.624100     -0.2720000    
 C   -2.516800       1.466200     -0.9900000    
 C   -1.615000       2.624600      0.9290000    
 C   -3.178600       2.630000      -1.381500    
 C   -2.276900       3.788200      0.5374000    
 C   -3.058700       3.790900     -0.6178000    
 H    3.090100      -1.055500      -1.002900    
 H    1.786400     -0.5575000       2.353300    
 H   0.4693000      -1.657700       2.049500    
 H  -0.4082000      0.5507000       2.555900    
 H   0.6205000       1.303600       1.334200    
 H    2.255100       1.274000     -0.5112000    
 H    2.760900       1.097100       1.167900    
 H    3.789700      -1.076700       1.992200    
 H    3.586700      -2.532600       1.007200    
 H    4.858000      -1.371500      0.6276000    
 H   -3.524500     -0.6616000       1.031500    
 H  -0.5611000      -4.076900      -1.006000    
 H    4.178600       2.978600       1.085000    
 H    3.783700       3.267100     -0.6245000    
 H    5.470200       3.040600     -0.1042000    
 H    4.004000       1.254800      -2.257600    
 H    4.893700     -0.1621000      -1.636200    
 H    5.697500       1.375100      -1.750100    
 H   -4.384000      -2.904000      0.5262000    
 H   -2.909000      -4.613600     -0.4950000    
 H   -2.615600      0.5841000      -1.617300    
 H   -1.040200       2.672600       1.848900    
 H   -3.784100       2.633600      -2.283100    
 H   -2.188400       4.691300       1.134300    
 H   -3.574300       4.696900     -0.9224000    


%chk=000047692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047692

0 1
O 1.277698 -2.203392 -1.620631
N 1.506009 -1.030868 0.390123
N -1.135976 0.305256 0.638179
N 4.546585 1.169253 -0.306168
C 2.937621 -0.729973 0.105527
C 0.911054 -0.684086 1.694222
C -0.049594 0.513126 1.621572
C 3.174814 0.806449 0.113693
C 0.765361 -1.748030 -0.546116
C -1.572864 -1.026338 0.321940
C -0.682892 -2.009215 -0.214254
C 3.897914 -1.477270 1.052640
C -1.902023 1.437818 0.243111
C -2.938380 -1.375422 0.520450
C -1.186968 -3.290581 -0.557252
C 4.917116 2.537324 0.110881
C 4.790620 0.953587 -1.749208
C -3.417874 -2.656689 0.189357
C -2.539407 -3.625341 -0.355002
C -2.705968 1.396704 -0.935659
C -1.842029 2.659954 0.975033
C -3.426376 2.531301 -1.352219
C -2.563257 3.794105 0.540092
C -3.363987 3.743270 -0.620944
H 3.087681 -1.114653 -0.918724
H 1.720246 -0.431590 2.400800
H 0.387185 -1.564315 2.111207
H -0.461457 0.688023 2.643253
H 0.511517 1.419833 1.327784
H 2.394781 1.286312 -0.532271
H 3.033698 1.190818 1.144057
H 3.729091 -1.213121 2.114397
H 3.784548 -2.569657 0.941197
H 4.933778 -1.190279 0.804342
H -3.618628 -0.621892 0.930607
H -0.491328 -4.003998 -1.010727
H 4.808639 2.637150 1.205729
H 4.297822 3.334526 -0.373583
H 5.974591 2.728825 -0.145601
H 4.133576 1.583344 -2.400559
H 4.623167 -0.102328 -2.020272
H 5.842467 1.196401 -1.982543
H -4.472717 -2.900117 0.358884
H -2.907415 -4.621381 -0.621711
H -2.747211 0.479045 -1.530262
H -1.252383 2.730957 1.893593
H -4.029643 2.472835 -2.265520
H -2.501104 4.720545 1.122973
H -3.922999 4.624173 -0.953117


