%chk=000050879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050879

0 1
 O  -0.4067000      0.9403000      0.7580000    
 O  -0.2938000      -3.729900     -0.1408000    
 O   -4.096100       1.291100     -0.9138000    
 N    1.874300     -0.3596000      0.4908000    
 N    4.269900      0.6800000     -0.7497000    
 C    2.058100     -0.4005000     -0.9650000    
 C    3.173000     -0.4193000       1.172800    
 C    2.971100      0.7387000      -1.431400    
 C    4.087000      0.7189000      0.7064000    
 C    1.004300      -1.446800      0.9350000    
 C  -0.3535000      -1.375600      0.3118000    
 C    5.138600       1.768600      -1.193100    
 C   -1.034400     -0.1596000      0.2403000    
 C  -0.9414000      -2.532300     -0.2005000    
 C   -2.295400     -0.1015000     -0.3410000    
 C   -2.207400      -2.473100     -0.7835000    
 C   -2.888700      -1.257600     -0.8560000    
 C   -2.988000       1.192600     -0.4017000    
 C   -2.276100       2.365400      0.1837000    
 C   -1.050800       2.168800      0.7124000    
 C   -3.025800       3.664700      0.1430000    
 C  -0.2010000       3.256500       1.303700    
 C  -0.5172000      -4.529800       1.018400    
 H    1.112900     -0.2841000      -1.505600    
 H    2.488600      -1.362800      -1.275600    
 H    3.666900      -1.384300      0.9946000    
 H    3.027600     -0.3221000       2.255500    
 H    3.117600      0.6423000      -2.514100    
 H    2.477100       1.703600      -1.252600    
 H    3.665100       1.682900       1.022300    
 H    5.057600      0.6083000       1.205200    
 H   0.8655000      -1.391000       2.023000    
 H    1.495300      -2.406400      0.7329000    
 H    6.121900       1.694300     -0.7156000    
 H    4.717800       2.754500     -0.9646000    
 H    5.308700       1.708500      -2.273800    
 H   -2.669600      -3.371100      -1.184900    
 H   -3.873500      -1.231600      -1.313800    
 H   -3.066400       4.045100     -0.8827000    
 H   -2.582600       4.437700      0.7754000    
 H   -4.052300       3.526600      0.5005000    
 H   0.8517000       3.094200       1.044700    
 H  -0.2867000       3.249400       2.394700    
 H  -0.4587000       4.252600      0.9355000    
 H   0.1142000      -5.419700      0.9470000    
 H   -1.563900      -4.846600       1.065400    
 H  -0.2504000      -3.984300       1.929100    


%chk=000050879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050879

0 1
O -0.762437 1.326029 1.162572
O 0.131506 -3.279412 0.252964
O -4.475141 1.208318 -0.731993
N 2.056668 -0.173593 0.493835
N 4.630367 0.180008 -0.788862
C 2.452941 -1.003225 -0.670871
C 3.253608 0.230167 1.272625
C 3.433682 -0.227472 -1.563796
C 4.235939 1.003438 0.377874
C 1.039629 -0.833698 1.363827
C -0.308130 -0.974477 0.678267
C 5.645507 0.843965 -1.627164
C -1.192463 0.125956 0.573020
C -0.756726 -2.202774 0.122840
C -2.457878 0.056393 -0.066763
C -2.023672 -2.312910 -0.522936
C -2.853324 -1.188417 -0.615769
C -3.333997 1.247774 -0.154468
C -2.805334 2.483666 0.467694
C -1.573381 2.472644 1.088688
C -3.664030 3.730521 0.394533
C -0.890840 3.622449 1.772803
C -0.275763 -4.583946 -0.278585
H 1.548705 -1.256649 -1.252084
H 2.932074 -1.960609 -0.346240
H 3.785219 -0.656515 1.704133
H 2.929146 0.877970 2.109218
H 3.758196 -0.873159 -2.401799
H 2.902882 0.660330 -1.994973
H 3.751617 1.962727 0.058973
H 5.144116 1.254648 0.958287
H 0.917168 -0.190281 2.254062
H 1.380426 -1.838235 1.705590
H 6.540526 1.070911 -1.019734
H 5.286426 1.801696 -2.084689
H 5.951505 0.168962 -2.446924
H -2.352245 -3.264618 -0.948769
H -3.829666 -1.234483 -1.108821
H -3.158964 4.552639 -0.145367
H -3.944121 4.103713 1.396857
H -4.588796 3.476779 -0.149712
H 0.104690 3.797296 1.325625
H -0.731632 3.398066 2.843946
H -1.486544 4.542859 1.690530
H 0.562010 -5.257317 -0.046099
H -0.428109 -4.542834 -1.373991
H -1.196962 -4.949298 0.213949


