%chk=000002158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002158

0 1
 O   -2.292300       1.106100     -0.3093000    
 O   0.6628000       1.277300      4.0600002E-02
 O  -0.8429000       2.991600     -0.5136000    
 O   0.2505000      -1.430900     -0.4465000    
 O   -2.443100      -2.516500      0.1818000    
 O   -5.055800      -1.896000      0.8788000    
 N    3.528100     -0.8360000      0.5209000    
 C  -7.5300001E-02  0.8752000      -1.116600    
 C  -0.6809000     -0.4948000     -0.9441000    
 C   -1.811600     -0.2073000      3.2800000E-02
 C   -1.287100       1.772700      -1.098300    
 C   0.3256000       2.655400      0.2446000    
 C   -2.953600      -1.204000     -5.3599998E-02
 C    1.480900       3.528600     -0.2314000    
 C   4.2700000E-02   2.874900       1.724600    
 C   -4.028000     -0.9169000      0.9890000    
 C    1.368900      -1.582500      -1.316400    
 C    2.335300      -2.588000     -0.7053000    
 C    2.847100      -2.118300      0.6526000    
 C    3.940500     -0.3337000       1.832800    
 C    4.688400     -0.9569000     -0.3637000    
 H   0.5492000       1.015200      -2.003800    
 H   -1.090300     -0.8436000      -1.902000    
 H   -1.420900     -0.1789000       1.058900    
 H   -1.707800       1.957800      -2.091300    
 H   -3.409400      -1.203100      -1.050400    
 H    1.256100       4.592200     -0.1004000    
 H    1.670500       3.368100      -1.299000    
 H    2.406800       3.286800      0.3009000    
 H   0.9099000       2.610400       2.338900    
 H  -0.7905000       2.244000       2.054200    
 H  -0.2396000       3.913400       1.926400    
 H   -3.628800     -0.9721000       2.007300    
 H   -4.480300      6.8099998E-02  0.8418000    
 H    1.882500     -0.6354000      -1.499800    
 H    1.016900      -1.969000      -2.280300    
 H   -2.036000      -2.525900       1.065000    
 H    3.144700      -2.822300      -1.403900    
 H    1.797300      -3.531100     -0.5411000    
 H    2.000900      -2.025000       1.344900    
 H    3.512900      -2.883300       1.073000    
 H   -4.643000      -2.767300       1.006400    
 H    3.070200     -0.2073000       2.486600    
 H    4.651200      -1.005100       2.328200    
 H    4.404800      0.6544000       1.738600    
 H    5.265700     -2.4100000E-02 -0.3607000    
 H    5.363300      -1.765400     -5.9400000E-02
 H    4.399800      -1.105700      -1.408400    


%chk=000002158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002158

0 1
O -2.327542 1.197062 -0.651933
O 0.715390 1.340417 0.272553
O -0.784047 3.083978 -0.319028
O 0.120820 -1.481105 -0.192744
O -2.495495 -2.418323 0.377811
O -5.169754 -1.956527 0.576061
N 3.891724 -0.978987 -0.118284
C 0.074701 0.959994 -0.997143
C -0.609554 -0.423348 -0.875067
C -1.885116 -0.094804 -0.069441
C -1.133925 1.936327 -1.125323
C 0.225299 2.690444 0.704522
C -2.987787 -1.149111 -0.204537
C 1.369494 3.702643 0.638292
C -0.421197 2.565144 2.085779
C -4.264118 -0.808659 0.578991
C 1.198993 -2.101845 -1.013069
C 2.157130 -2.797679 -0.046622
C 2.985180 -1.767141 0.754482
C 4.210738 0.350930 0.444537
C 5.106983 -1.720309 -0.510599
H 0.797575 1.040947 -1.827140
H -0.894793 -0.752204 -1.901252
H -1.611774 0.024849 0.999016
H -1.379403 2.322898 -2.124824
H -3.235954 -1.302267 -1.275829
H 0.989193 4.715570 0.855286
H 1.820994 3.701761 -0.367377
H 2.145624 3.448861 1.380741
H 0.302536 2.142668 2.803820
H -1.309052 1.914643 2.042437
H -0.738003 3.560101 2.442401
H -3.987767 -0.520411 1.617107
H -4.804944 0.022993 0.100729
H 1.752719 -1.314084 -1.559175
H 0.733280 -2.807840 -1.730806
H -1.497627 -2.445397 0.302663
H 2.820733 -3.469750 -0.624400
H 1.580741 -3.435654 0.650904
H 2.279009 -1.066492 1.235103
H 3.547266 -2.290131 1.568354
H -4.610883 -2.746689 0.805082
H 3.272157 0.904458 0.620749
H 4.783369 0.300556 1.405374
H 4.821077 0.921699 -0.279784
H 5.693747 -1.119869 -1.228961
H 5.770065 -1.965408 0.358507
H 4.838498 -2.669110 -1.007662


