%chk=000030455.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030455

0 1
 O    2.591500     -0.8778000     -0.4053000    
 N    2.803700      0.2956000      0.4394000    
 N   -3.482400     -0.7435000      4.7699999E-02
 C   0.4413000      0.7720000     -2.7300000E-02
 C   0.2230000     -0.6191000      1.1200000E-02
 C    1.857900       1.290500     -7.7399999E-02
 C    1.412300      -1.544600      6.3800000E-02
 C   -1.082300      -1.117700      4.7100000E-02
 C  -0.6500000       1.644900     -7.0200004E-02
 C   -2.165200     -0.2387000      1.6500000E-02
 C   -1.949700       1.138400     -4.5499999E-02
 H    2.109600       1.555000      -1.111500    
 H    1.942600       2.194000      0.5361000    
 H    1.574900      -1.910500       1.084500    
 H    1.246900      -2.403800     -0.5945000    
 H   -1.249000      -2.191200      9.6500002E-02
 H  -0.4945000       2.719200     -0.1204000    
 H    3.754400      0.5549000      0.1797000    
 H   -2.788800       1.829200     -7.4100003E-02
 H   -3.641200      -1.741300      9.3400002E-02
 H   -4.268700     -0.1078000      2.6400000E-02


%chk=000030455-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030455

0 1
O 2.645547 -0.927714 -0.422540
N 2.811259 0.300443 0.458212
N -3.513826 -0.753340 0.061461
C 0.459222 0.785216 -0.050878
C 0.227826 -0.614893 0.010520
C 1.883114 1.326384 -0.104130
C 1.415686 -1.571034 0.054631
C -1.088436 -1.120138 0.051670
C -0.659609 1.650379 -0.083333
C -2.211931 -0.247231 0.024527
C -1.977290 1.157175 -0.045889
H 2.145829 1.608751 -1.150319
H 1.981147 2.227449 0.533296
H 1.570490 -1.945743 1.088255
H 1.273472 -2.428598 -0.628493
H -1.251741 -2.206062 0.098105
H -0.498455 2.735571 -0.130000
H 3.798715 0.552342 0.267137
H -2.826728 1.851208 -0.066488
H -3.683524 -1.752822 0.116278
H -4.314469 -0.129645 0.034078


