%chk=000043295.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043295

0 1
 O  -0.4820000      9.8399997E-02 -0.3590000    
 O    4.061800      -1.190800     -0.6847000    
 O   0.3295000       2.169400      0.1730000    
 N   -4.167900     -8.1000000E-02 -0.3889000    
 N    1.746200      0.3638000     -0.2887000    
 C   -5.045400     -0.9377000      -1.195400    
 C   -4.537000     -1.3300000E-02   1.031600    
 C   -6.519100     -0.5215000      -1.237300    
 C   -5.738100      0.9016000       1.268800    
 C   -7.261200     -0.8200000      5.9000000E-02
 C   -7.106400      0.2412000       1.140400    
 C   -2.781000     -0.5407000     -0.5244000    
 C   -1.809200      0.5918000     -0.2331000    
 C   0.5301000      0.9989000     -0.1274000    
 C    3.040700      0.9133000     -0.1467000    
 C    4.174100      0.1251000     -0.3473000    
 C    4.640500      -2.139600      0.2085000    
 C    3.178500       2.257900      0.1980000    
 C    3.858400      -3.441000      0.1176000    
 C    5.444900      0.6819000     -0.2034000    
 C    4.449400       2.814400      0.3420000    
 C    5.582600       2.026400      0.1413000    
 C    4.410600      -4.498600       1.056400    
 H   -4.967300      -1.984400     -0.8718000    
 H   -4.693200     -0.9070000      -2.235200    
 H   -3.721600      0.4211000       1.618900    
 H   -4.706500      -1.011900       1.454600    
 H   -6.622200      0.5333000      -1.518900    
 H   -6.997900      -1.100800      -2.037600    
 H   -5.666400       1.324400       2.279600    
 H   -5.683500       1.765400      0.5926000    
 H   -8.331800     -0.9218000     -0.1597000    
 H   -6.945000      -1.794400      0.4520000    
 H   -7.373600     -0.2155000       2.102000    
 H   -7.849300       1.032200      0.9748000    
 H   -2.572700      -1.412000      0.1111000    
 H   -2.575900     -0.8753000      -1.550800    
 H   -1.929900      0.9899000      0.7787000    
 H   -1.960000       1.407500     -0.9512000    
 H    1.712500     -0.6212000     -0.5405000    
 H    5.684900      -2.305200     -7.9599999E-02
 H    4.615300      -1.767000       1.240800    
 H    3.878300      -3.811100     -0.9144000    
 H    2.803200      -3.252500      0.3497000    
 H    2.352300       2.932900      0.3698000    
 H    6.337500      8.3600000E-02 -0.3650000    
 H    4.558100       3.861500      0.6098000    
 H    6.572100       2.460400      0.2514000    
 H    3.831300      -5.423100      0.9691000    
 H    4.361000      -4.163900       2.097500    
 H    5.454200      -4.727900      0.8183000    


%chk=000043295-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043295

0 1
O -0.539653 0.095054 -0.137824
O 3.702061 -1.232321 0.178029
O 0.244965 2.317494 -0.104992
N -4.267477 -0.200577 -0.255324
N 1.686272 0.437248 0.011840
C -5.117363 -1.152781 -1.012538
C -4.787808 0.164015 1.093172
C -6.571181 -0.686150 -1.257221
C -5.961389 1.170564 1.036124
C -7.469434 -0.711487 0.004975
C -7.380323 0.553769 0.898901
C -2.843441 -0.620700 -0.219366
C -1.928994 0.610875 -0.258430
C 0.466792 1.080034 -0.078643
C 2.967554 1.033346 0.096612
C 4.071374 0.129058 0.187823
C 4.768370 -2.244124 0.278341
C 3.211820 2.425958 0.095933
C 4.098994 -3.620211 0.243483
C 5.391364 0.611619 0.277424
C 4.539547 2.905596 0.185218
C 5.624441 2.008707 0.275592
C 5.138196 -4.758172 0.349038
H -5.162910 -2.154664 -0.506024
H -4.628809 -1.311126 -1.993344
H -3.953427 0.633076 1.646162
H -5.079840 -0.746395 1.677003
H -6.563289 0.322240 -1.714488
H -7.000785 -1.375702 -2.011436
H -5.943341 1.797927 1.949588
H -5.753029 1.845736 0.185316
H -8.527013 -0.853419 -0.293110
H -7.199838 -1.609280 0.599046
H -7.773156 0.298664 1.903666
H -8.055140 1.334658 0.494835
H -2.595361 -1.237377 0.676642
H -2.626857 -1.244716 -1.105048
H -2.127788 1.312527 0.571327
H -2.039273 1.159003 -1.209955
H 1.673161 -0.586938 0.021246
H 5.472489 -2.122602 -0.571129
H 5.326499 -2.096540 1.226390
H 3.523473 -3.714843 -0.696268
H 3.373633 -3.686748 1.075831
H 2.363603 3.110341 0.026384
H 6.234885 -0.081004 0.348900
H 4.718638 3.985871 0.183541
H 6.650683 2.384515 0.344898
H 4.641452 -5.743746 0.320648
H 5.708999 -4.696752 1.294532
H 5.861554 -4.722421 -0.487018


