%chk=000038629.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038629

0 1
 O   -1.349200      -1.386500      0.3190000    
 O  -0.8353000      0.7785000      0.8472000    
 O    5.489900     -0.3349000     -0.8609000    
 N   -4.869000     -0.3540000     -0.2441000    
 N   0.7739000     -0.7243000      5.1899999E-02
 C   -4.978800      0.9054000      0.5053000    
 C   -5.661600     -0.3071000      -1.480900    
 C   -6.433500       1.205000      0.8705000    
 C   -7.138600     -4.7300000E-02  -1.180400    
 C   -7.322800       1.228900     -0.3675000    
 C   -3.468500     -0.6499000     -0.5448000    
 C   -2.706900      -1.144900      0.6872000    
 C   -3.267900      -2.442100       1.255800    
 C  -0.4889000     -0.3255000      0.4449000    
 C    1.959200      4.4900000E-02  2.0700000E-02
 C    3.154100     -0.5319000     -0.4098000    
 C    4.323700      0.2275000     -0.4405000    
 C    1.934200       1.381000      0.4208000    
 C    6.697000      0.1751000     -0.2967000    
 C    7.737100     -0.9344000     -0.2757000    
 C    4.298600       1.563500     -4.0399998E-02
 C    3.103800       2.140300      0.3903000    
 C    9.049400     -0.4671000      0.3280000    
 H   -4.568700       1.742600     -7.5000003E-02
 H   -4.418900      0.8582000       1.444400    
 H   -5.588900      -1.266400      -2.007700    
 H   -5.280600      0.4679000      -2.159000    
 H   -6.801100      0.4434000       1.570100    
 H   -6.494700       2.169600       1.387200    
 H   -7.699600      2.8000001E-02  -2.118800    
 H   -7.555600     -0.8974000     -0.6256000    
 H   -8.372500       1.340800     -7.4800000E-02
 H   -7.065600       2.097400     -0.9861000    
 H   -2.962600      0.2159000     -0.9928000    
 H   -3.403100      -1.441400      -1.304700    
 H   -2.736800     -0.4104000       1.499200    
 H   -3.253200      -3.237900      0.5028000    
 H   -4.293200      -2.320200       1.617300    
 H   -2.648600      -2.790700       2.089800    
 H   0.8656000      -1.690200     -0.2535000    
 H    3.181400      -1.572900     -0.7230000    
 H    1.047400       1.895400      0.7641000    
 H    6.546400      0.5150000      0.7364000    
 H    7.051300       1.012800     -0.9085000    
 H    7.905500      -1.300000      -1.295800    
 H    7.351300      -1.790400      0.2910000    
 H    5.179700       2.197300     -7.5199999E-02
 H    3.083700       3.182600      0.6956000    
 H    9.470100      0.3656000     -0.2447000    
 H    8.910700     -0.1376000       1.362700    
 H    9.779000      -1.282800      0.3268000    


%chk=000038629-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038629

0 1
O -1.393672 -1.511914 0.494228
O -1.003233 0.763380 0.995625
O 5.483510 -0.577411 -0.141580
N -4.858407 -0.272050 -0.346383
N 0.724891 -0.747682 0.387653
C -4.851584 1.157244 0.064877
C -5.819436 -0.515867 -1.451089
C -6.248891 1.598665 0.543562
C -7.250435 -0.128683 -1.022628
C -7.305749 1.345083 -0.556554
C -3.496523 -0.792810 -0.603499
C -2.862850 -1.302185 0.714200
C -3.426415 -2.643013 1.177077
C -0.581772 -0.372030 0.655667
C 1.896766 0.055685 0.445208
C 3.124844 -0.576715 0.138758
C 4.331143 0.157937 0.179700
C 1.869450 1.434528 0.793234
C 6.780343 0.123526 -0.102899
C 7.854329 -0.896086 -0.489365
C 4.323634 1.532643 0.525872
C 3.085261 2.144586 0.826323
C 9.265999 -0.269938 -0.472053
H -4.532438 1.809985 -0.790580
H -4.104426 1.295755 0.866709
H -5.780572 -1.588617 -1.718118
H -5.544466 0.068392 -2.369467
H -6.513232 1.024619 1.452748
H -6.221516 2.670578 0.818912
H -7.946431 -0.298200 -1.866943
H -7.561639 -0.790491 -0.190973
H -8.318631 1.596486 -0.188716
H -7.101172 2.010972 -1.420934
H -2.829610 -0.020022 -1.052605
H -3.556031 -1.635470 -1.317977
H -2.971617 -0.526953 1.493972
H -3.185601 -3.439958 0.450543
H -4.523996 -2.551217 1.254444
H -3.020239 -2.931485 2.161547
H 0.841078 -1.731054 0.133367
H 3.170803 -1.637572 -0.132246
H 0.920165 1.917314 1.029167
H 6.958867 0.520697 0.918679
H 6.766982 0.974595 -0.816123
H 7.623318 -1.293367 -1.495283
H 7.804500 -1.749468 0.212302
H 5.246397 2.117153 0.563813
H 3.069846 3.206866 1.095134
H 9.341557 0.575042 -1.182244
H 9.526888 0.109196 0.533967
H 10.028316 -1.016270 -0.756925


