%chk=000131216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131216

0 1
 O    4.830200     -0.7028000     -0.5007000    
 N  -0.2624000       1.177300      0.2661000    
 N   -3.184300     -0.3140000      9.2200004E-02
 C  -0.8835000      7.5900003E-02  0.7909000    
 C    1.058800      0.8960000      3.0000001E-04
 C    1.278800     -0.4322000      0.3714000    
 C   4.4700000E-02 -0.9368000      0.8686000    
 C   -2.310300      8.1799999E-02   1.174400    
 C    2.065600       1.707200     -0.5348000    
 C    2.565900     -0.9796000      0.2011000    
 C  -0.9015000       2.454300      2.4900001E-02
 C    3.582800     -0.1801000     -0.3333000    
 C    3.334200       1.142500     -0.6948000    
 C   -4.585200     -0.2868000      0.5038000    
 C    5.020500      -2.061500     -0.1117000    
 C   -5.464800     -0.6657000     -0.6064000    
 C   -6.189700     -0.9755000      -1.512000    
 H  -0.1415000      -1.934800       1.242200    
 H   -2.438400     -0.6097000       2.018500    
 H   -2.595100       1.069400       1.557800    
 H    1.890100       2.739300     -0.8169000    
 H    2.699400      -2.012300      0.4999000    
 H   -1.884300       2.286800     -0.4226000    
 H  -0.9952000       2.973300      0.9821000    
 H  -0.3101000       3.053400     -0.6693000    
 H    4.135300       1.751400      -1.107600    
 H   -2.942200      -1.257300     -0.2129000    
 H   -4.747900     -0.9733000       1.343200    
 H   -4.857500      0.7202000      0.8412000    
 H    6.067400      -2.311300     -0.3137000    
 H    4.409100      -2.742700     -0.7133000    
 H    4.862300      -2.199200      0.9634000    
 H   -6.832500      -1.250400      -2.315300    


%chk=000131216-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131216

0 1
O 4.971170 -0.574593 -0.493341
N -0.357898 0.997023 0.174426
N -3.269188 -0.128626 0.154152
C -0.890383 -0.116268 0.853315
C 1.003585 0.759518 -0.069630
C 1.332745 -0.537673 0.458708
C 0.120022 -1.068540 1.035740
C -2.323367 -0.180347 1.302816
C 1.970722 1.568893 -0.709603
C 2.661410 -1.032595 0.338283
C -1.077424 2.222971 -0.183907
C 3.617717 -0.219422 -0.302366
C 3.277813 1.068463 -0.821295
C -4.692436 -0.235663 0.563431
C 5.394942 -1.876472 0.015106
C -5.604231 -0.233043 -0.594072
C -6.377633 -0.251565 -1.553616
H -0.007147 -2.030828 1.529954
H -2.442838 -1.100893 1.922226
H -2.566946 0.678077 1.964291
H 1.724843 2.559862 -1.105241
H 2.918536 -2.018151 0.737173
H -2.156536 2.000801 -0.217398
H -0.877027 3.038020 0.538026
H -0.765942 2.560307 -1.188442
H 4.068474 1.650055 -1.304675
H -3.024379 -0.817119 -0.570661
H -4.899108 -1.149595 1.176066
H -4.928120 0.631792 1.212913
H 6.464623 -1.951231 -0.231625
H 4.841232 -2.702871 -0.474212
H 5.260128 -1.946310 1.113258
H -7.048657 -0.261173 -2.393099


