%chk=000126108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126108

0 1
 O   -5.646100     -0.1905000      0.2258000    
 O   -4.969500      -2.355800      0.6445000    
 N   0.7607000      -1.800100     -0.1166000    
 N    3.280800     -0.4554000     -0.1089000    
 N   -3.401500     -0.6433000      0.3701000    
 N   -2.569900       1.637400     -2.8700000E-02
 C   0.9895000     -0.6452000     -0.9932000    
 C    2.006800      -2.559700      4.4199999E-02
 C    2.052900      0.2876000     -0.4083000    
 C    3.103100      -1.690700      0.6647000    
 C  -0.2946000      -2.655000     -0.6591000    
 C   -1.627300      -1.910700     -0.7824000    
 C   -2.167700      -1.361500      0.5365000    
 C    4.493900      0.2307000      1.7100001E-02
 C    4.530400       1.560700      0.4814000    
 C    5.715600     -0.3879000     -0.3156000    
 C   -3.526400      0.7095000      0.1164000    
 C   -4.674800      -1.185300      0.4358000    
 C   -4.878100      0.9431000      3.6699999E-02
 C    5.739500       2.244500      0.6079000    
 C    6.924700      0.2959000     -0.1891000    
 C    6.936700       1.612100      0.2727000    
 C   -5.344600       2.213900     -0.2105000    
 C   -3.039900       2.886200     -0.2715000    
 C   -4.394100       3.219800     -0.3699000    
 H   9.1700003E-02 -3.0999999E-02  -1.106700    
 H    1.296700     -0.9716000      -1.995900    
 H    2.351500      -2.949800     -0.9231000    
 H    1.839400      -3.420500      0.7029000    
 H    2.249800       1.081200      -1.139900    
 H    1.669000      0.7572000      0.5067000    
 H    2.841200      -1.433600       1.699200    
 H    4.025800      -2.281200      0.7023000    
 H  -1.5300000E-02  -3.055300      -1.642500    
 H  -0.4459000      -3.515400      5.2999998E-03
 H   -1.585200      -1.123200      -1.542900    
 H   -2.364100      -2.624300      -1.177500    
 H   -2.349700      -2.197300       1.222800    
 H   -1.444900     -0.6948000       1.019500    
 H    3.619300       2.081900      0.7645000    
 H    5.730100      -1.409200     -0.6899000    
 H    5.749600       3.268300      0.9700000    
 H    7.856800     -0.1953000     -0.4527000    
 H    7.878200       2.144500      0.3713000    
 H   -6.404300       2.429200     -0.2788000    
 H   -2.276100       3.648300     -0.3913000    
 H   -4.697300       4.242500     -0.5666000    


%chk=000126108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126108

0 1
O -5.522122 -0.032932 0.819435
O -4.969395 -2.288100 1.361483
N 0.689071 -1.837483 -0.357265
N 3.215081 -0.421940 -0.135627
N -3.343935 -0.728735 0.544007
N -2.402227 1.386965 -0.311186
C 0.909388 -0.553818 -1.069880
C 1.971002 -2.574055 -0.243592
C 1.951931 0.312646 -0.339628
C 3.007189 -1.734368 0.518428
C -0.373717 -2.678335 -0.964761
C -1.768883 -2.019201 -0.916462
C -2.136413 -1.574540 0.516337
C 4.416380 0.297480 0.092458
C 4.430896 1.722761 0.194300
C 5.670860 -0.382278 0.187275
C -3.407584 0.618028 0.148665
C -4.608154 -1.177922 0.953231
C -4.752978 1.038093 0.327831
C 5.642550 2.426175 0.365464
C 6.871472 0.330623 0.368650
C 6.875252 1.743385 0.456820
C -5.128502 2.345655 0.024782
C -2.769193 2.679783 -0.609900
C -4.082395 3.183363 -0.460100
H -0.035556 0.016727 -1.106242
H 1.255638 -0.734042 -2.119697
H 2.383009 -2.834888 -1.251965
H 1.792617 -3.515624 0.309086
H 2.146292 1.201615 -0.963816
H 1.521563 0.657359 0.629673
H 2.647811 -1.589094 1.563408
H 3.955928 -2.290345 0.563245
H -0.139541 -2.935933 -2.029853
H -0.398393 -3.632522 -0.401867
H -1.799816 -1.140674 -1.586128
H -2.516656 -2.741142 -1.294908
H -2.332739 -2.447029 1.163227
H -1.295922 -1.003181 0.945486
H 3.496599 2.290371 0.165004
H 5.716762 -1.471564 0.089278
H 5.615618 3.519753 0.441815
H 7.815322 -0.224119 0.429615
H 7.812108 2.292893 0.594763
H -6.153178 2.703501 0.151342
H -1.966579 3.322845 -0.984102
H -4.290059 4.224740 -0.721428


