%chk=000002833.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002833

0 1
 O   0.7383000      -1.889000      -1.529000    
 O    3.465500      -1.981500      -1.332400    
 O    4.756600     -0.6869000      0.7413000    
 O   -5.181300      -1.908700      6.3800000E-02
 O   -4.522400      0.1332000      -1.709100    
 O   5.7799999E-02   4.692800     -0.2498000    
 N   0.1344000       2.375200     -0.4484000    
 C  -0.8240000       2.058000      0.5916000    
 C  -0.1880000       2.126200       1.998100    
 C   0.4736000      0.8617000       2.557300    
 C   -1.579000      0.7792000      0.2184000    
 C    1.265900      9.1700003E-02   1.535700    
 C   0.6013000     -0.5758000      0.4868000    
 C  -0.8857000     -0.5074000      0.3911000    
 C    1.351000      -1.267800     -0.4776000    
 C    2.664300      4.4000000E-02   1.608200    
 C   -2.805600      0.9251000     -0.3171000    
 C   -1.496600      -1.695000      0.5679000    
 C    2.742500      -1.308400     -0.3919000    
 C    3.397400     -0.6551000      0.6495000    
 C   -3.763200     -0.1094000     -0.7732000    
 C   0.4894000       3.670100     -0.7756000    
 C   -2.903300      -1.996000      0.6128000    
 C   -3.909200      -1.362800      3.5000001E-03
 C    1.520800       3.714800      -1.871000    
 C   0.5406000      -1.142700      -2.710200    
 C    4.400700      -1.248800      -2.096100    
 C    5.346000      -1.737400       1.479700    
 C   -5.887800      -1.399400       1.175600    
 H   -1.537800       2.894800      0.5800000    
 H  -0.9659000       2.421800       2.715300    
 H   0.5521000       2.937600       2.017300    
 H    1.113300       1.143000       3.403700    
 H  -0.2883000      0.1999000       2.989900    
 H   0.5809000       1.614300     -0.9518000    
 H    3.186100      0.5581000       2.412100    
 H   -3.182700       1.932300     -0.4926000    
 H  -0.8907000      -2.585000      0.7469000    
 H   -3.132200      -2.918500       1.146000    
 H    1.190200       3.116200      -2.724700    
 H    2.469800       3.321500      -1.496000    
 H    1.664800       4.747400      -2.200700    
 H    1.494900     -0.8061000      -3.127200    
 H  -0.1051000     -0.2782000      -2.527500    
 H   5.1500000E-02  -1.785100      -3.447900    
 H    4.424300      -1.671800      -3.104800    
 H    4.132800     -0.1895000      -2.180900    
 H    5.402100      -1.349500      -1.667800    
 H    5.031200      -1.697800       2.527500    
 H    5.084900      -2.710100       1.050600    
 H    6.432800      -1.622800       1.440200    
 H   -6.888400      -1.842200       1.176400    
 H   -5.400200      -1.670700       2.118600    
 H   -6.002200     -0.3115000       1.111700    


%chk=000002833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002833

0 1
O 0.694229 -1.612656 -1.530719
O 3.581960 -1.843826 -1.340607
O 4.885494 -0.673694 0.943123
O -5.180356 -1.955703 0.346574
O -5.215767 0.880138 -0.009342
O -0.737270 4.397021 -0.994311
N 0.269630 2.422072 -0.266479
C -0.705436 2.189013 0.819806
C -0.053097 2.235650 2.237081
C 0.515135 0.878046 2.734853
C -1.542636 0.906874 0.597082
C 1.325693 0.162603 1.669660
C 0.650530 -0.409969 0.549160
C -0.851679 -0.363812 0.466981
C 1.422427 -1.053644 -0.474800
C 2.730603 0.069707 1.774151
C -2.919870 1.127259 0.520975
C -1.492675 -1.603606 0.304393
C 2.842876 -1.134300 -0.364818
C 3.481664 -0.588871 0.783557
C -4.099328 0.298125 0.272208
C 0.169233 3.516900 -1.114425
C -2.865519 -1.963059 0.287372
C -4.028258 -1.185086 0.343992
C 1.231495 3.592272 -2.208911
C 1.229308 -1.603940 -2.906008
C 4.587146 -1.038650 -2.077789
C 5.391073 -2.047256 1.186444
C -6.502419 -1.427431 0.767234
H -1.380919 3.058811 0.742498
H -0.814726 2.583008 2.961382
H 0.744517 3.001549 2.209029
H 1.133803 1.053852 3.633216
H -0.330860 0.234967 3.045015
H 1.016657 1.740820 -0.407463
H 3.258519 0.485674 2.637735
H -3.233322 2.179958 0.574365
H -0.816964 -2.461900 0.215888
H -3.069813 -3.040540 0.236739
H 1.983270 2.785364 -2.149820
H 1.745336 4.566547 -2.145496
H 0.733784 3.548746 -3.193425
H 1.996279 -2.382466 -3.035794
H 1.651705 -0.611985 -3.158916
H 0.351996 -1.803378 -3.540629
H 5.123615 -1.755059 -2.718345
H 4.080896 -0.278598 -2.704510
H 5.282888 -0.547077 -1.376278
H 4.984539 -2.435596 2.139194
H 5.115326 -2.721932 0.356014
H 6.484706 -1.947941 1.258048
H -7.146755 -2.319971 0.764976
H -6.438470 -1.001065 1.783814
H -6.851993 -0.653968 0.070530


