%chk=000094599.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094599

0 1
 O    2.174000      -3.877000     -0.5600000    
 O    4.139300       1.711500      -1.754900    
 N    1.626000      -2.883800      0.2221000    
 N    4.241900      0.6064000      0.2872000    
 C   -1.341100       1.523700     -0.1391000    
 C   -2.637900       1.235200      0.6199000    
 C  -0.2148000       1.919800      0.8182000    
 C   -3.799200      0.8251000     -0.2911000    
 C    1.090900       2.176700      6.3900001E-02
 C   -5.119400      0.5012000      0.4167000    
 C    2.208600       2.604300       1.015600    
 C    2.671200      -1.907700      0.6100000    
 C   -6.223400      4.4199999E-02 -0.5400000    
 C    3.582000      -1.613000     -0.5718000    
 C    3.502800       2.893100      0.2586000    
 C    4.718400     -0.6660000     -0.2052000    
 C   -7.542800     -0.2716000      0.1690000    
 C    3.991200       1.694500     -0.5361000    
 C   0.5353000      -2.200800     -0.5657000    
 C    1.019200      -3.520000       1.448300    
 C   -8.622200     -0.7957000     -0.7658000    
 H   -1.512200       2.331700     -0.8607000    
 H   -1.047600      0.6372000     -0.7130000    
 H   -2.460000      0.4349000       1.348900    
 H   -2.931300       2.124400       1.191200    
 H  -5.9900001E-02   1.121800       1.554700    
 H  -0.5048000       2.820700       1.372300    
 H   -3.978000       1.628600      -1.016900    
 H   -3.490700     -5.2999999E-02 -0.8728000    
 H   0.9313000       2.958500     -0.6888000    
 H    1.371600       1.263500     -0.4733000    
 H   -4.941500     -0.2834000       1.162200    
 H   -5.457700       1.388700      0.9652000    
 H    1.906900       3.513100       1.550400    
 H    2.361200       1.830900       1.776700    
 H    2.166000      -1.020100       1.005100    
 H    3.252500      -2.373400       1.414600    
 H   -6.396800      0.8229000      -1.292900    
 H   -5.882500     -0.8479000      -1.079700    
 H    3.012800      -1.171300      -1.396900    
 H    4.042000      -2.528600     -0.9608000    
 H    4.290500       3.187300      0.9618000    
 H    3.356800       3.728700     -0.4357000    
 H    5.353000     -0.4930000      -1.081300    
 H    5.342900      -1.104000      0.5806000    
 H   -7.911700      0.6319000      0.6688000    
 H   -7.364700      -1.017900      0.9525000    
 H    4.124000      0.6997000       1.291200    
 H   0.9619000      -1.801000      -1.487000    
 H  -0.2175000      -2.957700     -0.8046000    
 H   0.1105000      -1.412000      5.9300002E-02
 H    1.816400      -4.051800       1.974800    
 H   0.5943000      -2.723200       2.064100    
 H   0.2504000      -4.221200       1.112700    
 H   -8.853200     -6.1999999E-02  -1.544500    
 H   -9.540900      -1.002600     -0.2082000    
 H   -8.301600      -1.722800      -1.251400    


%chk=000094599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094599

0 1
O 2.445992 -4.138061 -0.177671
O 4.086495 1.605330 -1.686191
N 1.664310 -2.994300 0.168500
N 4.430573 0.625018 0.389365
C -1.353881 1.518783 -0.048001
C -2.689954 1.250863 0.680332
C -0.226799 2.016329 0.885303
C -3.806932 0.747801 -0.261994
C 1.099490 2.283586 0.139541
C -5.148995 0.486039 0.458148
C 2.246666 2.728896 1.073464
C 2.591573 -1.794002 0.501862
C -6.263965 -0.011260 -0.489557
C 3.581014 -1.524663 -0.636146
C 3.594955 2.946446 0.329400
C 4.797934 -0.692233 -0.173491
C -7.609013 -0.270085 0.227039
C 4.062807 1.691124 -0.418912
C 0.733430 -2.641813 -0.988822
C 0.832505 -3.316648 1.402502
C -8.716573 -0.761718 -0.730115
H -1.518152 2.265319 -0.852416
H -1.021946 0.588566 -0.558514
H -2.527877 0.506361 1.488363
H -3.026287 2.182506 1.181505
H -0.055672 1.265349 1.686762
H -0.557702 2.943399 1.398318
H -3.964915 1.492118 -1.070226
H -3.472324 -0.185310 -0.762543
H 0.940097 3.058314 -0.637728
H 1.403916 1.367894 -0.407556
H -4.993776 -0.260715 1.265143
H -5.483746 1.418697 0.958920
H 1.965475 3.675082 1.577579
H 2.375322 1.976195 1.880136
H 1.961788 -0.914503 0.739900
H 3.132988 -2.117482 1.409200
H -6.418765 0.734758 -1.297103
H -5.931900 -0.945034 -0.990206
H 3.101245 -0.991962 -1.476539
H 3.919643 -2.518610 -0.990738
H 4.370681 3.273563 1.049760
H 3.480639 3.741293 -0.427122
H 5.455593 -0.516981 -1.042981
H 5.373945 -1.242995 0.593233
H -7.939546 0.662565 0.728424
H -7.455087 -1.017531 1.032123
H 4.393238 0.738396 1.403427
H 1.362489 -2.470567 -1.872119
H 0.102979 -3.525097 -1.166144
H 0.116774 -1.750761 -0.764978
H 1.536544 -3.630399 2.186696
H 0.231409 -2.447602 1.731297
H 0.185440 -4.166878 1.142342
H -8.910978 -0.017566 -1.525545
H -9.667158 -0.939762 -0.194377
H -8.423603 -1.708352 -1.222447


