%chk=000120966.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120966

0 1
 O   -6.160000      -1.550100      0.2268000    
 O   -6.994200       1.040400     -0.3389000    
 N   0.6234000     -0.5770000     -5.1000002E-03
 N    3.455300     -0.2182000     -0.1086000    
 N    4.816400       2.284100      0.1021000    
 C    1.247600      0.5940000      0.6225000    
 C    1.376900     -0.9616000      -1.205100    
 C    2.691400      0.2941000       1.033100    
 C    2.824300      -1.314200     -0.8547000    
 C  -0.7712000     -0.2954000     -0.3438000    
 C   -1.587600      1.5300000E-02  0.9113000    
 C    4.853000     -0.1513000     -9.4700001E-02
 C   -3.033300      0.2858000      0.5783000    
 C    5.542000       1.075500      7.7000000E-03
 C    5.619300      -1.331700     -0.1832000    
 C   -3.935500     -0.7669000      0.5564000    
 C   -3.436100       1.582700      0.2983000    
 C    6.936100       1.119100      2.1000000E-02
 C    7.013500      -1.287900     -0.1700000    
 C    7.671900     -6.2600002E-02 -6.7800000E-02
 C   -5.272400     -0.5168000      0.2474000    
 C   -4.773100       1.833000     -1.0700000E-02
 C   -5.691200      0.7831000     -3.6100000E-02
 C   -5.651000      -2.847900      0.5282000    
 C   -7.365200      0.9745000      -1.714400    
 H   0.7448000      0.8839000       1.548400    
 H    1.227800       1.459400     -5.3300001E-02
 H    1.366000     -0.1505000      -1.945900    
 H   0.9154000      -1.838700      -1.674800    
 H    3.122900       1.189900       1.487100    
 H    2.694500     -0.4706000       1.822000    
 H    2.840700      -2.233500     -0.2551000    
 H    3.358700      -1.507800      -1.793500    
 H  -0.8434000      0.5357000      -1.058800    
 H   -1.208800      -1.173500     -0.8368000    
 H   -1.224400      0.8988000       1.445600    
 H   -1.522100     -0.8159000       1.626100    
 H    5.148900      -2.309500     -0.2466000    
 H   -3.549200      -1.754600      0.7829000    
 H   -2.728600       2.406900      0.3128000    
 H    7.462200       2.067000      0.1011000    
 H    7.586900      -2.208100     -0.2351000    
 H    8.757400     -2.8899999E-02 -5.6299999E-02
 H    5.322100       3.159200      0.1537000    
 H    3.840000       2.302800     -0.1601000    
 H   -5.092300       2.848200     -0.2305000    
 H   -5.268100      -2.903700       1.552900    
 H   -4.912600      -3.173900     -0.2122000    
 H   -6.492400      -3.546000      0.4656000    
 H   -8.433400       1.194900      -1.792200    
 H   -7.184700     -2.8100001E-02  -2.114900    
 H   -6.811100       1.717300      -2.296900    


%chk=000120966-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120966

0 1
O -6.158792 -1.609883 -0.130934
O -7.194273 1.037133 -0.298726
N 0.665276 -0.192048 -0.018928
N 3.552057 -0.045272 -0.251840
N 5.163777 2.200988 -0.242952
C 1.430904 0.895799 0.637789
C 1.374447 -0.657987 -1.237447
C 2.854543 0.429489 0.981037
C 2.790619 -1.145295 -0.885671
C -0.747091 0.165306 -0.293499
C -1.611462 0.248601 0.993718
C 4.977379 -0.226818 -0.108399
C -3.085540 0.441834 0.670294
C 5.789636 0.958619 -0.090981
C 5.601243 -1.492462 -0.021126
C -3.912032 -0.683161 0.415971
C -3.655608 1.733234 0.579496
C 7.194001 0.834368 0.075711
C 7.004965 -1.608938 0.117194
C 7.795053 -0.439190 0.182253
C -5.276636 -0.532538 0.078593
C -5.012727 1.893620 0.222498
C -5.835787 0.778702 -0.038071
C -5.635605 -2.961980 0.074868
C -7.797609 0.404533 -1.489381
H 0.918500 1.191290 1.570490
H 1.493039 1.801225 -0.022538
H 1.454540 0.152945 -2.006000
H 0.801096 -1.493834 -1.680669
H 3.431368 1.261944 1.419729
H 2.799614 -0.390305 1.733765
H 2.696003 -2.027879 -0.208926
H 3.319137 -1.462248 -1.802294
H -0.835533 1.129669 -0.857262
H -1.172389 -0.622917 -0.944032
H -1.261129 1.084116 1.628134
H -1.448059 -0.685536 1.563010
H 4.985486 -2.398370 -0.050390
H -3.477192 -1.684655 0.506946
H -3.039894 2.616380 0.785615
H 7.815428 1.738727 0.094036
H 7.470245 -2.598079 0.183724
H 8.882006 -0.514283 0.301096
H 5.727581 3.038861 -0.361051
H 4.217066 2.186891 -0.626185
H -5.469959 2.885307 0.146756
H -5.263661 -3.093555 1.109241
H -4.826361 -3.197539 -0.643746
H -6.491698 -3.630415 -0.099627
H -8.826036 0.795690 -1.525458
H -7.801941 -0.693542 -1.395803
H -7.250493 0.704159 -2.404827


