%chk=000004419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004419

0 1
 O   -2.790700      0.3835000      -1.437000    
 O   0.1770000      -2.832500     -3.3599999E-02
 O   -4.300600      -2.135000     -0.6558000    
 O   -3.626300       3.120200     -0.8702000    
 N    1.978200     -0.4035000      7.1999997E-02
 C  -0.8126000     -0.6745000     -0.5329000    
 C  -0.2385000      -1.589800      0.5531000    
 C    1.018300     -0.8390000       1.123200    
 C   -2.251300     -0.9284000      -1.030500    
 C   0.1990000     -0.5276000      -1.702300    
 C   -1.073400      0.6813000      4.4700000E-02
 C   -1.289800      -1.977400       1.609900    
 C   -3.207000      -1.522900      2.8899999E-02
 C   0.6197000      0.4801000       1.858900    
 C    1.657800     -0.8112000      -1.294100    
 C   -2.540700      -2.551900      0.9389000    
 C  -0.4012000       1.284000       1.094000    
 C   -2.166500       1.257100     -0.5751000    
 C    3.357000     -0.7373000      0.4189000    
 C    4.340900     -8.2099997E-02 -0.5251000    
 C  -0.8053000       2.572200       1.446100    
 C    5.824900     -0.3807000     -0.2267000    
 C    4.654100       1.395600     -0.2106000    
 C   -2.570600       2.533500     -0.2557000    
 C    6.115700       1.088300     -0.5984000    
 C   -1.868000       3.198100      0.7594000    
 H    1.521800      -1.507300       1.834600    
 H   -2.252100      -1.561700      -1.926200    
 H   0.1412000      0.4727000      -2.152700    
 H  -5.4200001E-02  -1.236400      -2.501500    
 H   -1.584700      -1.127100       2.233100    
 H  -0.8775000      -2.738200       2.284200    
 H   -3.645900     -0.7308000      0.6466000    
 H    1.505300       1.097600       2.056900    
 H   0.1918000      0.2243000       2.836200    
 H    1.884800      -1.873200      -1.450800    
 H    2.255500     -0.2622000      -2.027600    
 H   -2.297300      -3.459500      0.3725000    
 H   -3.256600      -2.872100       1.706100    
 H    3.570500     -0.4237000       1.449100    
 H    3.492000      -1.826900      0.3922000    
 H   0.6477000      -3.341400      0.6483000    
 H    4.173700     -0.2676000      -1.592800    
 H  -0.3189000       3.096000       2.264600    
 H    6.298900      -1.131400     -0.8647000    
 H    6.045400     -0.6167000      0.8212000    
 H    4.533900       1.684600      0.8402000    
 H    4.145100       2.131100     -0.8393000    
 H    6.882300       1.588000     -1.2000001E-03
 H    6.332400       1.241000      -1.661900    
 H   -3.951400      -2.880800      -1.173000    
 H   -2.159600       4.203000       1.057100    
 H   -3.751500       4.009800     -0.4974000    


%chk=000004419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004419

0 1
O -2.743918 0.433166 -1.441054
O -0.000026 -3.029852 -0.095627
O -4.545948 -1.964693 -0.463973
O -3.318734 3.288368 -0.955445
N 1.966200 -0.725358 -0.102926
C -0.835982 -0.788357 -0.567616
C -0.284732 -1.713803 0.534554
C 1.049416 -1.052690 1.027271
C -2.320438 -0.973327 -1.014086
C 0.124165 -0.798380 -1.807644
C -0.936022 0.615243 0.030556
C -1.323922 -1.946491 1.655684
C -3.285819 -1.453426 0.100306
C 0.787713 0.264675 1.820940
C 1.583839 -1.175221 -1.459387
C -2.635912 -2.489906 1.044866
C -0.167011 1.175863 1.060442
C -2.002333 1.284654 -0.590760
C 3.397486 -0.914323 0.217527
C 4.337803 0.041967 -0.529762
C -0.434014 2.531626 1.379316
C 5.857002 0.015324 -0.125471
C 4.299951 1.566298 -0.163111
C -2.264778 2.636837 -0.293866
C 5.868828 1.583391 -0.207408
C -1.444861 3.250475 0.693838
H 1.528109 -1.788339 1.722245
H -2.426341 -1.593768 -1.919400
H 0.082416 0.197742 -2.282058
H -0.248848 -1.534985 -2.542845
H -1.532814 -1.004942 2.195548
H -0.915369 -2.663801 2.396054
H -3.609086 -0.572583 0.682146
H 1.761494 0.761277 1.989992
H 0.369752 0.034865 2.824265
H 1.719725 -2.273838 -1.582150
H 2.257301 -0.675538 -2.179730
H -2.417606 -3.421119 0.484599
H -3.365713 -2.735903 1.837238
H 3.531801 -0.739324 1.303635
H 3.723655 -1.971428 0.021258
H 0.444640 -3.601758 0.581861
H 4.238040 -0.091551 -1.623358
H 0.134788 3.033697 2.170335
H 6.550843 -0.532752 -0.784848
H 5.996317 -0.344247 0.911586
H 3.909094 1.722682 0.859693
H 3.760259 2.239679 -0.847805
H 6.390955 2.124464 0.599063
H 6.252517 1.942663 -1.178708
H -4.351101 -2.799952 -0.962809
H -1.628449 4.301760 0.954850
H -3.411633 4.216139 -0.624022


