%chk=000022887.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022887

0 1
 O    1.733600      -3.256500      -1.292600    
 O  -0.4775000      -3.466500     -0.8419000    
 N    2.350100      0.9940000      0.4369000    
 C   0.6363000      -1.383500     -0.2307000    
 C    1.738100      -1.343000      0.8638000    
 C    1.946500      4.7400001E-02   1.471500    
 C  -0.7054000     -0.9147000      0.2417000    
 C   -1.343700      0.2032000     -0.3199000    
 C    3.601900      0.5677000     -0.1902000    
 C    2.494200       2.338200      0.9975000    
 C   0.5487000      -2.798700     -0.8122000    
 C   -1.308600      -1.635700       1.272800    
 C   -2.611700      0.5951000      0.1713000    
 C  -0.7514000      0.9406000      -1.358000    
 C    4.001300       1.508900      -1.313800    
 C    1.204500       2.800400       1.654100    
 C   -2.555700      -1.250400       1.755400    
 C   -3.204300     -0.1424000       1.209200    
 C   -3.250200       1.712900     -0.3902000    
 C   -1.400000       2.048700      -1.903900    
 C   -2.647000       2.434200      -1.420900    
 H    1.013300     -0.8135000      -1.078500    
 H    2.676100      -1.782300      0.5087000    
 H    1.448900      -2.013800       1.685200    
 H    1.008500      0.3320000       1.955700    
 H    2.703200     -1.8700000E-02   2.264600    
 H    4.419900      0.4885000      0.5368000    
 H    3.496600     -0.4062000     -0.6752000    
 H    3.316300       2.394400       1.722100    
 H    2.699600       3.065700      0.2056000    
 H  -0.8278000      -2.502000       1.719000    
 H   0.2137000      0.7171000      -1.794300    
 H    3.164100       1.710700      -1.991100    
 H    4.397300       2.459500     -0.9434000    
 H    4.799300       1.051500      -1.909900    
 H   0.3337000       2.633600       1.012800    
 H    1.031900       2.325700       2.624800    
 H    1.260600       3.878200       1.845800    
 H   -3.024900      -1.811800       2.558200    
 H   -4.178500      0.1408000       1.602300    
 H   -4.225300       2.032300     -2.8100001E-02
 H  -0.9314000       2.612100      -2.705700    
 H   -3.151200       3.297100      -1.846100    
 H    1.654600      -4.164400      -1.655300    


%chk=000022887-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022887

0 1
O 0.289503 -2.127540 -2.429438
O 0.581045 -3.631612 -0.686922
N 2.765602 0.899326 0.675863
C 0.698847 -1.190166 -0.232431
C 1.789956 -1.423245 0.844061
C 2.167257 -0.120342 1.581613
C -0.686003 -0.806114 0.328092
C -1.509295 0.192358 -0.323799
C 4.192534 0.603127 0.360893
C 2.585569 2.289901 1.182812
C 0.531061 -2.445975 -1.082914
C -1.175556 -1.455466 1.470224
C -2.797326 0.529114 0.260626
C -1.125474 0.865828 -1.533986
C 4.656862 1.218166 -0.973486
C 1.147679 2.818675 1.026680
C -2.446363 -1.130050 2.032539
C -3.239899 -0.146014 1.444594
C -3.618713 1.526941 -0.362900
C -1.950037 1.828251 -2.121066
C -3.206551 2.170243 -1.529898
H 1.068142 -0.381128 -0.882899
H 2.684008 -1.845115 0.346232
H 1.468379 -2.185977 1.575317
H 1.254517 0.308183 2.032331
H 2.855530 -0.368442 2.428536
H 4.865049 0.941671 1.190090
H 4.308300 -0.494483 0.298088
H 2.905843 2.371835 2.253562
H 3.262610 2.944721 0.604489
H -0.576441 -2.239135 1.944912
H -0.184704 0.603364 -2.024417
H 4.034815 0.840344 -1.803775
H 4.582973 2.320617 -0.969113
H 5.712414 0.954743 -1.173549
H 0.836997 2.780644 -0.031689
H 0.417245 2.229936 1.609826
H 1.086459 3.866210 1.376702
H -2.790436 -1.659515 2.927580
H -4.214701 0.117073 1.872373
H -4.584558 1.771689 0.095594
H -1.635512 2.322828 -3.046796
H -3.841893 2.929046 -1.999757
H 0.132471 -2.968117 -2.940890


