%chk=000029810.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029810

0 1
 O   -5.710100     -0.7092000      0.2898000    
 N   -3.050700      -1.592100     -0.2098000    
 N    1.370000     -0.3401000      0.1402000    
 N   0.4012000       3.264500      0.1941000    
 N    1.457000      -2.301500     -0.9018000    
 C   -1.641200      -1.728600      0.1515000    
 C  -0.7369000      -1.129100     -0.9272000    
 C   0.7211000      -1.286600     -0.5723000    
 C   0.8294000      0.8995000      0.6512000    
 C   -3.909600      -2.260200      0.7777000    
 C   -3.424800     -0.1757000     -0.3262000    
 C   0.9804000       2.042200     -0.3487000    
 C    2.660300     -0.7787000      0.2927000    
 C   -5.375000      -2.094100      0.3857000    
 C   -4.901900     -5.8200002E-02 -0.6912000    
 C    2.689200      -2.004700     -0.3663000    
 C   0.5928000       4.382200     -0.7322000    
 C   -1.023500       3.079000      0.4769000    
 C    3.770800     -0.2252000      0.9309000    
 C    3.888700      -2.735700     -0.4005000    
 C    4.956400     -0.9662000      0.8868000    
 C    5.016400      -2.199300      0.2336000    
 C    2.065400       4.593400      -1.040300    
 C   -1.625200       4.324500       1.105400    
 H   -1.439100      -1.268100       1.127300    
 H   -1.394700      -2.793900      0.2546000    
 H  -0.9113000      -1.650400      -1.878000    
 H  -0.9334000     -7.3500000E-02  -1.123700    
 H  -0.2014000      0.6765000      0.9263000    
 H    1.350300       1.132300       1.588000    
 H   -3.748300      -1.830500       1.775000    
 H   -3.674300      -3.329500      0.8260000    
 H   -2.878200      0.3371000      -1.121100    
 H   -3.236800      0.3501000      0.6189000    
 H   0.5253000       1.778600      -1.312300    
 H    2.055600       2.152800     -0.5256000    
 H   -5.598500      -2.591700     -0.5660000    
 H   -6.018300      -2.539700       1.151100    
 H   -5.196900      0.9958000     -0.7176000    
 H   -5.110500     -0.4858000      -1.679500    
 H   3.7900001E-02   4.238800      -1.668000    
 H   0.2478000       5.318800     -0.2822000    
 H   -1.589500       2.802400     -0.4215000    
 H   -1.189100       2.301100       1.225300    
 H    3.730000      0.7327000       1.436600    
 H    3.945700      -3.694600     -0.9055000    
 H    5.847900     -0.5737000       1.369900    
 H    5.952300      -2.751900      0.2162000    
 H    2.676500       4.596000     -0.1312000    
 H    2.459900       3.846100      -1.735800    
 H    2.200900       5.567300      -1.524700    
 H   -1.012000       4.699900       1.931900    
 H   -1.775600       5.129100      0.3791000    
 H   -2.614100       4.088000       1.514900    


%chk=000029810-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029810

0 1
O -5.987271 -1.111078 0.569037
N -3.180589 -1.655104 0.019820
N 1.307506 -0.324849 0.015818
N 0.412673 3.371782 -0.126231
N 1.383528 -2.378347 -1.004215
C -1.726360 -1.708893 0.292979
C -0.878660 -1.265055 -0.930982
C 0.597403 -1.339012 -0.663872
C 0.801485 0.980474 0.464501
C -3.961584 -2.487016 0.974968
C -3.721427 -0.271724 -0.010427
C 0.969807 2.088295 -0.608388
C 2.646095 -0.747862 0.094010
C -5.448230 -2.482143 0.585574
C -5.214453 -0.294400 -0.379556
C 2.674614 -2.036144 -0.540943
C 1.185317 4.563481 -0.571086
C -1.050569 3.494089 -0.374547
C 3.798350 -0.152150 0.647611
C 3.889616 -2.752217 -0.628491
C 5.001851 -0.884233 0.551274
C 5.047245 -2.163613 -0.077527
C 2.525932 4.719378 0.171389
C -1.758697 4.422298 0.630646
H -1.451377 -1.097465 1.192192
H -1.456821 -2.755442 0.524685
H -1.105909 -1.942055 -1.769991
H -1.159901 -0.241744 -1.244061
H -0.263037 0.878798 0.737980
H 1.339187 1.285301 1.378959
H -3.859898 -2.112843 2.025167
H -3.576476 -3.523548 0.942252
H -3.179248 0.323716 -0.768721
H -3.596305 0.234745 0.982077
H 0.496485 1.750245 -1.562758
H 2.046864 2.209738 -0.819138
H -5.571431 -2.944431 -0.417441
H -6.055649 -3.029670 1.324912
H -5.653006 0.715861 -0.324500
H -5.333809 -0.699414 -1.407679
H 1.362501 4.545926 -1.675924
H 0.567050 5.456298 -0.367649
H -1.255792 3.837586 -1.419974
H -1.494668 2.483267 -0.288940
H 3.773948 0.829131 1.134660
H 3.917513 -3.733761 -1.111494
H 5.922123 -0.460558 0.968877
H 6.002831 -2.696730 -0.130899
H 2.351400 4.793441 1.258865
H 3.201674 3.863317 -0.009899
H 3.050189 5.632174 -0.167458
H -1.607091 4.054353 1.660192
H -1.372373 5.456205 0.580072
H -2.844254 4.461802 0.422673


