%chk=000126925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126925

0 1
 O    5.431600      0.4172000     -0.8489000    
 O    5.487200       1.471600       2.180800    
 O    6.693000     -0.9733000       2.214600    
 O    7.634300     -0.8471000      -2.084100    
 N    3.111500      0.5029000     -0.3546000    
 N    1.512000     -0.7742000      -1.242600    
 N    1.780300       2.414800      0.3344000    
 N   -1.390300      0.1304000      -1.303700    
 N  -0.5759000       2.102300     -0.2198000    
 C    4.824000      0.4256000       1.472900    
 C    4.445800      0.9230000      7.6600000E-02
 C    5.770000     -0.7229000       1.176600    
 C    6.453900     -0.2572000     -9.7099997E-02
 C    7.034400      -1.391900     -0.9220000    
 C    1.945700       1.203600     -0.2184000    
 C    2.797900     -0.6781000     -0.9762000    
 C   0.9673000      0.3950000     -0.7743000    
 C  -0.3349000      0.8846000     -0.7625000    
 C   -3.477100      0.1452000     -2.8400000E-02
 C   -2.748900      0.5852000      -1.318200    
 C   -3.495200      -1.368000      0.1597000    
 C   -4.875200      0.7375000      0.1127000    
 C   0.4811000       2.781800      0.2874000    
 C   -4.544400      -2.090200     -0.3674000    
 C   -5.374000      0.9689000       1.376900    
 C   -2.462100      -1.963700      0.8510000    
 C   -5.594300       1.021700      -1.028400    
 C   -4.561300      -3.474300     -0.1951000    
 C   -6.653000       1.510200       1.506000    
 C   -2.478800      -3.347800       1.023300    
 C   -6.873300       1.563100     -0.8994000    
 C   -3.528500      -4.103000      0.5002000    
 C   -7.402700       1.807300      0.3679000    
 H    3.972800      0.1117000       2.085700    
 H    4.469800       2.016500      4.3000001E-03
 H    5.184800      -1.632000      0.9908000    
 H    7.241900      0.4767000      0.1165000    
 H    7.798300      -1.942200     -0.3655000    
 H    6.258200      -2.093100      -1.245300    
 H    4.844400       2.190800       2.304600    
 H    7.280300      -1.690400       1.921900    
 H    3.538900      -1.431500      -1.206400    
 H   -2.899400      0.5697000      0.8080000    
 H   -2.807600       1.671100      -1.464700    
 H   -3.220600      0.1276000      -2.195900    
 H    6.946300     -0.3595000      -2.568600    
 H   -1.168000     -0.7808000      -1.688900    
 H   0.2513000       3.752400      0.7139000    
 H   -5.352400      -1.645800     -0.9360000    
 H   -4.798100      0.7393000       2.268200    
 H   -1.642500      -1.385800       1.266600    
 H   -5.227100      0.8327000      -2.030100    
 H   -5.375200      -4.063600     -0.6073000    
 H   -7.065500       1.699700       2.492700    
 H   -1.674900      -3.837400       1.565300    
 H   -7.459100       1.791100      -1.785100    
 H   -3.540800      -5.180900      0.6332000    
 H   -8.399000       2.227700      0.4684000    


%chk=000126925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126925

0 1
O 5.231522 -0.821236 0.404034
O 6.783903 1.177977 -1.528919
O 6.920500 2.341588 0.849569
O 5.432604 -1.348531 3.206016
N 3.444538 -0.255533 -1.115264
N 1.457420 -1.087353 -1.921245
N 2.536137 1.493964 0.426540
N -1.219430 0.098754 -0.977102
N 0.076804 1.554324 0.392351
C 5.489913 1.233611 -0.859673
C 4.894118 -0.194422 -0.885383
C 5.692099 1.549264 0.656959
C 5.894936 0.167498 1.309774
C 5.252045 0.009495 2.690079
C 2.426916 0.481171 -0.488367
C 2.795919 -1.184715 -1.952101
C 1.214707 -0.045181 -1.006286
C -0.002879 0.534901 -0.532065
C -3.352709 -0.474064 0.215214
C -2.506409 0.621403 -0.504632
C -3.635503 -1.640267 -0.745597
C -4.635362 0.087379 0.848364
C 1.309550 1.965477 0.807922
C -4.685135 -1.561131 -1.698247
C -5.431959 -0.778535 1.645258
C -2.809428 -2.793284 -0.739885
C -5.060301 1.430409 0.689549
C -4.899968 -2.606191 -2.622473
C -6.610578 -0.318987 2.267783
C -3.022481 -3.842499 -1.664532
C -6.244545 1.895020 1.309838
C -4.067975 -3.751074 -2.610711
C -7.024088 1.024651 2.101739
H 4.828511 1.966071 -1.358667
H 5.375604 -0.771276 -1.693806
H 4.794283 2.056643 1.049835
H 6.972693 -0.078639 1.352616
H 5.754063 0.671493 3.416365
H 4.176719 0.278112 2.625172
H 7.417407 1.691957 -0.950035
H 6.692978 3.299190 0.944745
H 3.357637 -1.897518 -2.552666
H -2.716306 -0.864451 1.035310
H -2.277139 1.447907 0.187726
H -3.076415 1.024728 -1.364599
H 5.083400 -1.972642 2.518302
H -1.215725 -0.675266 -1.647576
H 1.313904 2.776508 1.542816
H -5.345897 -0.685868 -1.701428
H -5.122933 -1.823688 1.770068
H -1.999598 -2.873732 -0.003823
H -4.474234 2.132659 0.088055
H -5.717296 -2.531752 -3.348837
H -7.205995 -1.004669 2.881235
H -2.374305 -4.725713 -1.644828
H -6.553540 2.937854 1.174811
H -4.236314 -4.562865 -3.327056
H -7.939484 1.385272 2.583959


