%chk=000050646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050646

0 1
 O    2.270600      0.9153000     -0.3031000    
 O   0.5806000       1.116200       2.326500    
 O  -0.3535000      0.1218000      -2.166800    
 O   -1.400200       4.227100     -0.4038000    
 N  -0.4983000       2.634100      0.9868000    
 N  -0.9655000       2.137200      -1.257500    
 C  -0.3704000      0.2967000      0.2518000    
 C   -1.727200     -0.3003000      0.6662000    
 C   0.6974000     -0.8066000      0.2740000    
 C   -2.181500      -1.360800     -0.3317000    
 C    3.253500      -1.292100     -0.1069000    
 C    2.085700     -0.2825000     -7.5199999E-02
 C   -3.503600      -2.039300      7.2300002E-02
 C  -1.9800000E-02   1.366100       1.281600    
 C  -0.5299000      0.8233000      -1.171000    
 C    2.998900      -2.396000      -1.141300    
 C    4.552500     -0.5595000     -0.4869000    
 C    3.415900      -1.903200       1.290400    
 C   -3.360800      -2.668700       1.460300    
 C   -3.945400      -3.103600     -0.9333000    
 C  -0.9991000       3.074700     -0.2323000    
 H   -1.626200     -0.7187000       1.673600    
 H   -2.494400      0.4825000      0.7322000    
 H   0.7421000      -1.266800       1.266600    
 H   0.4861000      -1.588700     -0.4579000    
 H   -2.355400     -0.9200000      -1.318500    
 H   -1.438100      -2.152900     -0.4542000    
 H   -4.291500      -1.276800      0.1203000    
 H    3.874700      -3.045000      -1.253400    
 H    2.157400      -3.035800     -0.8551000    
 H    2.765700      -1.968000      -2.122800    
 H    4.785300      0.2363000      0.2305000    
 H    4.471700     -9.6100003E-02  -1.477100    
 H    5.406100      -1.246300     -0.5084000    
 H    2.571400      -2.548300       1.555200    
 H    4.321200      -2.518100       1.349400    
 H    3.488100      -1.123800       2.057700    
 H  -0.4004000       3.336800       1.714400    
 H   -1.212100       2.473600      -2.184200    
 H   -3.301000      -1.911000       2.247100    
 H   -2.475000      -3.309900       1.522900    
 H   -4.235400      -3.286200       1.694800    
 H   -3.209400      -3.911600      -1.004800    
 H   -4.905600      -3.542500     -0.6426000    
 H   -4.065500      -2.666100      -1.929800    


%chk=000050646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050646

0 1
O 2.186879 0.966209 -0.415806
O 0.533579 0.639680 2.443766
O -0.526631 0.307849 -2.245230
O -0.978370 4.320465 0.045395
N -0.312917 2.429161 1.246646
N -0.855745 2.256728 -1.046205
C -0.346935 0.148620 0.204313
C -1.727113 -0.512414 0.617165
C 0.752213 -0.923327 0.037990
C -2.234110 -1.633245 -0.316916
C 3.383567 -1.160642 -0.157515
C 2.119894 -0.279681 -0.211797
C -3.695033 -2.064620 -0.008571
C 0.030924 1.074883 1.374168
C -0.541478 0.888350 -1.127789
C 3.125244 -2.567862 -0.761544
C 4.545024 -0.463336 -0.907207
C 3.748473 -1.297224 1.358050
C -3.850243 -2.642695 1.419337
C -4.176973 -3.087772 -1.063904
C -0.735699 3.088461 0.079273
H -1.589502 -0.902370 1.643290
H -2.493660 0.287674 0.675582
H 0.792143 -1.568159 0.933527
H 0.503830 -1.564775 -0.827159
H -2.172747 -1.300050 -1.370204
H -1.581526 -2.525497 -0.226629
H -4.338589 -1.161543 -0.087061
H 4.056174 -3.161388 -0.711558
H 2.346605 -3.125000 -0.210267
H 2.822998 -2.503177 -1.823106
H 4.715166 0.552330 -0.513490
H 4.324130 -0.371356 -1.985894
H 5.473138 -1.052036 -0.790428
H 2.939371 -1.772740 1.940936
H 4.655415 -1.922017 1.453166
H 3.955510 -0.308744 1.803918
H -0.143863 3.032129 2.058119
H -1.073673 2.734604 -1.926501
H -3.598212 -1.902704 2.200539
H -3.190363 -3.521728 1.556671
H -4.890280 -2.972650 1.597967
H -3.566348 -4.010587 -1.022167
H -5.230557 -3.373977 -0.889006
H -4.100008 -2.677329 -2.087866


