%chk=000073614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073614

0 1
 O    2.518700      -1.882300      0.5800000    
 O  -0.6306000      0.1856000     -0.4712000    
 O   -4.125500     -7.9800002E-02 -0.8999000    
 O   -2.794300       2.322900     -0.5104000    
 O   -1.878100     -0.9329000      -2.046400    
 N    4.008400      0.9635000      7.0000002E-03
 C    3.116400      7.4199997E-02 -0.7977000    
 C    3.445500      -1.359400     -0.3650000    
 C    4.727600      0.1251000      0.9729000    
 C    4.814700      -1.228300      0.2849000    
 C    1.725700      0.5820000     -0.5906000    
 C    3.136300       1.971000      0.6450000    
 C    1.743100       1.644400      0.2190000    
 C   0.5453000     -2.1000000E-02  -1.260000    
 C   -2.968200     -4.7400001E-02 -4.8700001E-02
 C   -3.160100      -1.189100      0.9945000    
 C   -2.866800       1.374200      0.5609000    
 C   -1.786000     -0.3263000     -0.9853000    
 C   -1.969400      -1.411700       1.931500    
 C   -3.547400      -2.526800      0.3421000    
 C   -4.055300       1.762100       1.437600    
 H    3.404800      0.2088000      -1.848000    
 H    3.487600      -2.047400      -1.216300    
 H    4.177700      9.7000003E-03   1.915600    
 H    5.717200      0.5339000       1.197300    
 H    5.600800      -1.211900     -0.4797000    
 H    5.026800      -2.028800       1.000200    
 H    3.411200       2.966700      0.2810000    
 H    3.209100       1.979000       1.738000    
 H   0.8773000       2.217900      0.5171000    
 H   0.6873000      -1.097900      -1.394300    
 H   0.4145000      0.4374000      -2.247300    
 H    1.733700      -2.182400      9.3199998E-02
 H   -4.023200     -0.9304000       1.620700    
 H   -1.949700       1.481700       1.150600    
 H   -1.090100      -1.772100       1.388300    
 H   -2.214400      -2.157900       2.695400    
 H   -1.697500     -0.4888000       2.452300    
 H   -3.734000      -3.286700       1.109400    
 H   -2.750400      -2.903700     -0.3067000    
 H   -4.462800      -2.440300     -0.2515000    
 H   -3.975000       2.811300       1.744100    
 H   -4.109400       1.154600       2.344700    
 H   -5.000400       1.671800      0.8918000    
 H   -4.076200      0.6845000      -1.499600    
 H   -2.666700       3.202400     -0.1156000    


%chk=000073614-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073614

0 1
O 2.961279 -2.263517 -0.287878
O -0.726311 -0.010489 -0.256763
O -4.337934 -0.324582 -0.884908
O -3.018531 2.150645 -1.070376
O -1.930328 -0.704826 -2.122160
N 3.954313 0.789940 0.353655
C 3.102634 0.221980 -0.755562
C 3.672450 -1.209832 -1.033547
C 5.055673 -0.162330 0.673252
C 5.144995 -1.069952 -0.578336
C 1.680580 0.286599 -0.205987
C 3.075629 1.229949 1.476330
C 1.672760 0.836611 1.036048
C 0.529678 -0.198004 -1.033575
C -3.159735 -0.008927 -0.078180
C -3.268568 -0.942917 1.172050
C -3.158003 1.513850 0.261963
C -1.904748 -0.291465 -0.943335
C -2.336802 -0.578379 2.350648
C -3.083765 -2.422723 0.759714
C -4.437777 1.982232 0.965447
H 3.199772 0.824434 -1.683998
H 3.574370 -1.511771 -2.088192
H 4.823442 -0.773245 1.580420
H 6.006342 0.365908 0.868802
H 5.732625 -0.571642 -1.371588
H 5.593778 -2.054558 -0.370245
H 3.146949 2.323856 1.650935
H 3.367984 0.736265 2.431262
H 0.778200 1.015667 1.637349
H 0.639078 -1.270896 -1.282077
H 0.441023 0.359781 -1.986421
H 2.740895 -1.923959 0.618357
H -4.319702 -0.818228 1.502457
H -2.260910 1.746023 0.868788
H -1.275842 -0.645056 2.054408
H -2.507882 -1.290114 3.179030
H -2.523289 0.437675 2.744021
H -3.352706 -3.088957 1.599450
H -2.031856 -2.634700 0.488175
H -3.725255 -2.668128 -0.102670
H -4.438778 3.083913 1.075618
H -4.525844 1.551478 1.978922
H -5.319883 1.678472 0.377467
H -4.160152 -0.017182 -1.812345
H -3.091648 3.132502 -0.975525


