%chk=000004968.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004968

0 1
 O  -0.8897000      0.8998000      -1.466600    
 O   -4.428500       2.402900      -1.585900    
 O   -4.413200      0.1589000      -1.185800    
 O    1.571100      0.9210000       1.474300    
 O    4.381500       3.885300      0.8892000    
 N   -2.214300      0.5084000      0.3905000    
 N    1.092700     -0.3873000     -0.3926000    
 N    3.917100       1.602700      0.6525000    
 N    1.012400      -4.017900      -1.165900    
 N    1.507800      -4.869900      0.8242000    
 C   -3.105800       1.645400      0.2020000    
 C   -3.836200       1.789500       1.531900    
 C   -2.530100     -0.2100000       1.622500    
 C   -3.862800      0.3642000       2.078600    
 C  -0.2080000     -0.8420000      6.6000000E-03
 C   -1.124300      0.2721000     -0.4326000    
 C    3.198800      0.7584000     -0.2595000    
 C  -0.6126000      -2.151700     -0.6583000    
 C    3.069200       1.605700      -1.511000    
 C   -4.043400       1.291200     -0.9128000    
 C    1.879400      0.4611000      0.3779000    
 C    3.103900       3.045100     -0.9979000    
 C    3.893900       2.943500      0.2839000    
 C   0.2981000      -3.288000     -0.2581000    
 C   0.6199000      -3.832700      0.9628000    
 C    1.723200      -4.955600     -0.4698000    
 H   -2.520200       2.530400     -6.8499997E-02
 H   -3.252300       2.425400       2.208500    
 H   -4.839600       2.216100       1.439500    
 H   -1.746300      1.0900000E-02   2.355300    
 H   -2.573800      -1.288600       1.453300    
 H   -4.689300     -0.1947000       1.624000    
 H   -3.986900      0.3271000       3.164500    
 H  -0.1914000     -0.9430000       1.095100    
 H    3.756600     -0.1680000     -0.4249000    
 H   -1.640500      -2.420700     -0.3872000    
 H  -0.6031000      -2.043000      -1.751200    
 H    2.175700       1.410300      -2.111100    
 H    3.942600       1.439400      -2.154500    
 H    1.437900     -0.6778000      -1.303300    
 H    2.098900       3.409800     -0.7640000    
 H    3.592100       3.717600      -1.707300    
 H    4.362000       1.267700       1.501500    
 H   -5.042600       2.191700      -2.321100    
 H    1.017300      -3.890100      -2.169200    
 H   0.2583000      -3.532200       1.935700    
 H    2.374200      -5.664300     -0.9615000    


%chk=000004968-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004968

0 1
O -1.288349 0.318378 -1.925596
O -5.091069 1.788639 -1.511804
O -4.605362 -0.372849 -0.806581
O 1.178851 0.749947 1.462881
O 4.231328 3.749552 1.798898
N -2.106806 0.522462 0.236482
N 1.142817 -0.550920 -0.460687
N 3.838340 1.579514 0.958539
N 0.456622 -4.733233 -1.255639
N 1.972917 -4.930277 0.406386
C -3.106896 1.522646 -0.181595
C -3.497437 2.217358 1.154686
C -2.136642 0.261399 1.708804
C -3.356717 1.080452 2.199311
C -0.217337 -1.062459 -0.212180
C -1.251804 -0.012234 -0.693615
C 3.100707 0.902337 -0.103576
C -0.470763 -2.373886 -0.988871
C 2.919177 2.045015 -1.171524
C -4.308138 0.838309 -0.847832
C 1.730811 0.364543 0.386010
C 2.979534 3.350261 -0.342702
C 3.757585 2.972056 0.931279
C 0.448947 -3.496931 -0.584591
C 1.394638 -3.648105 0.437222
C 1.384694 -5.560759 -0.626365
H -2.675606 2.220696 -0.918098
H -2.771055 3.024140 1.357003
H -4.505521 2.659796 1.117862
H -1.185405 0.600818 2.157699
H -2.268841 -0.815328 1.915869
H -4.262864 0.449118 2.200195
H -3.203770 1.463903 3.221191
H -0.304209 -1.233435 0.873183
H 3.682904 0.060051 -0.525654
H -1.528463 -2.658806 -0.817115
H -0.392123 -2.149075 -2.072447
H 1.981382 1.929939 -1.739794
H 3.762036 2.004549 -1.882999
H 1.591508 -0.795490 -1.345770
H 1.976918 3.698431 -0.034739
H 3.480779 4.182390 -0.861454
H 4.161601 1.096906 1.797997
H -5.870317 1.339536 -1.938335
H -0.124974 -4.976710 -2.057165
H 1.696702 -2.919009 1.185375
H 1.589369 -6.579536 -0.946445


