%chk=000121562.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121562

0 1
 O   -6.374200       1.931700      0.6045000    
 O    8.219100     -0.6162000      0.4512000    
 O    8.010200      0.5948000      -1.367800    
 N  -0.2893000     -0.2857000      0.2970000    
 N    7.520300      5.4099999E-02 -0.3468000    
 C   -2.491600      -1.087400      0.3130000    
 C   -2.054800     -0.8808000       1.784100    
 C   -1.114100      -1.308300     -0.3483000    
 C  -0.6233000     -0.3376000       1.721000    
 C   -3.343600      -2.358400      0.1462000    
 C   -3.298400      0.1226000     -0.1933000    
 C    1.131600     -0.4622000      4.3000001E-02
 C   -3.678100      -2.604600      -1.318900    
 C   -4.484700      0.4822000      0.4431000    
 C    1.947300      0.6561000      0.6928000    
 C   -2.839400      0.8550000      -1.286400    
 C   -4.540500      -3.846000      -1.480900    
 C   -5.215100       1.578600     -1.5400000E-02
 C   -3.569900       1.951200      -1.744900    
 C    3.421500      0.4972000      0.4179000    
 C   -4.757700       2.313100      -1.109400    
 C    4.201900     -0.2401000       1.295400    
 C    3.972400       1.091100     -0.7074000    
 C    5.565500     -0.3871000       1.041600    
 C    5.336000      0.9442000     -0.9614000    
 C    6.132700      0.2051000     -8.6800002E-02
 C   -6.783800       1.137600       1.716800    
 H   -2.041100      -1.839100       2.319500    
 H   -2.700700     -0.2051000       2.353600    
 H  -0.7302000      -2.310200     -0.1059000    
 H   -1.105900      -1.221500      -1.438300    
 H   3.5599999E-02  -1.005700       2.289900    
 H  -0.5719000      0.6613000       2.166900    
 H   -4.268900      -2.293200      0.7321000    
 H   -2.803200      -3.229200      0.5412000    
 H    1.479000      -1.440700      0.4015000    
 H    1.306900     -0.4460000      -1.040700    
 H   -2.767700      -2.744200      -1.911100    
 H   -4.226000      -1.763800      -1.755900    
 H   -4.801900     -0.1165000       1.289200    
 H    1.801800      0.6832000       1.779900    
 H    1.611000       1.634600      0.3242000    
 H   -1.927100      0.6228000      -1.821700    
 H   -4.026100      -4.734500      -1.100700    
 H   -5.487700      -3.739700     -0.9424000    
 H   -4.769200      -4.013800      -2.538200    
 H   -3.214800       2.523500      -2.596900    
 H   -5.322500       3.167900      -1.471300    
 H    3.768600     -0.7069000       2.175600    
 H    3.359400       1.666800      -1.395200    
 H    6.155000     -0.9706000       1.744200    
 H    5.743000       1.418900      -1.850600    
 H   -6.994600      0.1048000       1.418700    
 H   -7.723800       1.560500       2.086400    
 H   -6.063200       1.194700       2.539800    


%chk=000121562-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121562

0 1
O -6.651243 1.787282 0.478989
O 8.388798 -0.777563 0.539489
O 8.244024 0.186804 -1.523142
N -0.203053 -0.298925 0.355983
N 7.724521 -0.188749 -0.400543
C -2.484896 -1.075121 0.354696
C -2.000004 -0.935616 1.842626
C -1.114984 -1.219166 -0.366144
C -0.685499 -0.117064 1.757476
C -3.337519 -2.363997 0.162377
C -3.260142 0.200015 -0.056650
C 1.231992 -0.511031 0.169355
C -3.769133 -2.644841 -1.295131
C -4.596026 0.373747 0.403120
C 2.054015 0.783408 0.459074
C -2.677286 1.226046 -0.838285
C -4.651697 -3.906018 -1.412579
C -5.327659 1.537300 0.071324
C -3.418521 2.386934 -1.168269
C 3.538705 0.566247 0.247567
C -4.742231 2.552940 -0.724197
C 4.324782 -0.077750 1.242847
C 4.167312 0.952845 -0.966952
C 5.694502 -0.329964 1.041859
C 5.536323 0.711652 -1.190865
C 6.283373 0.069200 -0.178763
C -7.311063 0.775140 1.303643
H -1.796755 -1.945502 2.248546
H -2.756745 -0.454731 2.485152
H -0.785655 -2.285718 -0.293551
H -1.163260 -0.960615 -1.440328
H 0.063682 -0.489111 2.491742
H -0.862517 0.954805 1.971126
H -4.242780 -2.318388 0.800846
H -2.747132 -3.225583 0.538490
H 1.628685 -1.335116 0.818784
H 1.411121 -0.817048 -0.879018
H -2.869351 -2.767391 -1.930470
H -4.316772 -1.768172 -1.691065
H -5.059561 -0.404078 1.017952
H 1.856846 1.096198 1.502141
H 1.670025 1.581715 -0.200795
H -1.633680 1.140258 -1.152813
H -4.121264 -4.802516 -1.038645
H -5.581046 -3.796441 -0.821597
H -4.941544 -4.098915 -2.461633
H -2.953448 3.172530 -1.774605
H -5.331124 3.442182 -0.968144
H 3.857220 -0.371993 2.189571
H 3.575025 1.453649 -1.741319
H 6.311885 -0.819313 1.799783
H 6.033199 1.008545 -2.118206
H -7.390569 -0.193305 0.771137
H -8.318102 1.173307 1.497163
H -6.779973 0.625493 2.264553


