%chk=000060769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060769

0 1
 O    2.704500       2.155800      -1.049400    
 O    2.946000      -1.969800       1.120600    
 O   -4.298600     -0.8752000     -0.7124000    
 O   -4.883000       1.365400       1.002900    
 N    2.826500      0.1430000      0.1320000    
 N  -0.9001000      3.0800000E-02  0.3934000    
 C    5.577400      3.0500000E-02 -0.4163000    
 C    6.942900     -0.2342000      -1.072400    
 C    6.003300      0.7556000      0.8721000    
 C    7.872900     -0.6025000      8.0200002E-02
 C    7.275100      4.3900002E-02   1.328600    
 C    4.691200      0.8815000      -1.316500    
 C    4.835900      -1.280200     -0.1445000    
 C    3.326200       1.142000     -0.7227000    
 C    3.460700      -1.071800      0.4497000    
 C    1.502700      0.3612000      0.7057000    
 C   0.4107000     -0.1712000     -0.2105000    
 C   -1.953100     -0.5083000     -0.4561000    
 C   -3.325300     -0.2913000      0.1645000    
 C   -3.622700       1.191100      0.3477000    
 C   -5.576100     -0.5034000     -0.3860000    
 C   -5.858900      0.5758000      0.4541000    
 C   -6.616700      -1.248700     -0.9408000    
 C   -7.181200      0.8833000      0.7752000    
 C   -7.939300     -0.9321000     -0.6300000    
 C   -8.221000      0.1290000      0.2311000    
 H    7.318900      0.6759000      -1.557400    
 H    6.909400      -1.020300      -1.833900    
 H    5.240000      0.7491000       1.656300    
 H    6.240700       1.805700      0.6583000    
 H    8.894300     -0.2563000     -0.1074000    
 H    7.915600      -1.690400      0.2068000    
 H    7.039400     -0.7263000       2.071900    
 H    7.973900      0.7448000       1.796500    
 H    4.537800      0.3911000      -2.286100    
 H    5.163500       1.851800      -1.513300    
 H    5.400400      -1.921200      0.5425000    
 H    4.699800      -1.845200      -1.075500    
 H    1.449100     -0.1291000       1.685600    
 H    1.357700       1.434800      0.8786000    
 H   0.4611000      0.3429000      -1.178200    
 H   0.5799000      -1.238400     -0.4006000    
 H  -0.9330000     -0.4183000       1.308200    
 H   -1.925700     -3.9400000E-02  -1.448600    
 H   -1.803800      -1.583400     -0.6206000    
 H   -3.386800     -0.8179000       1.127600    
 H   -2.873300       1.680700      0.9772000    
 H   -3.656300       1.722700     -0.6123000    
 H   -6.405800      -2.082100      -1.605400    
 H   -7.409900       1.713500       1.437900    
 H   -8.750900      -1.515200      -1.055600    
 H   -9.251600      0.3707000      0.4745000    


%chk=000060769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060769

0 1
O 2.578478 2.031544 -1.119966
O 3.063980 -1.973867 1.208506
O -4.448496 -0.930412 -0.698676
O -4.864565 1.410820 1.008191
N 2.844769 0.057146 0.087245
N -0.909026 -0.383483 0.330308
C 5.684601 0.104499 -0.405610
C 7.085999 -0.117606 -1.041328
C 6.055487 0.835373 0.921883
C 8.027023 -0.477990 0.145096
C 7.353197 0.135497 1.421525
C 4.747046 0.920526 -1.319103
C 4.984026 -1.248388 -0.121736
C 3.324486 1.069067 -0.792236
C 3.580954 -1.104691 0.453448
C 1.465357 0.202887 0.626291
C 0.417922 -0.426906 -0.317919
C -2.049865 -0.714946 -0.550299
C -3.369416 -0.358973 0.147453
C -3.588672 1.150126 0.305460
C -5.741939 -0.467170 -0.357585
C -5.944271 0.661857 0.485291
C -6.850485 -1.166319 -0.876827
C -7.253257 1.060784 0.824243
C -8.160327 -0.756751 -0.545886
C -8.361558 0.351090 0.313706
H 7.415061 0.828802 -1.514130
H 7.075551 -0.892122 -1.830951
H 5.244173 0.811591 1.672293
H 6.258970 1.900116 0.694922
H 9.044297 -0.080596 -0.016404
H 8.126332 -1.573892 0.247545
H 7.112639 -0.657339 2.152825
H 8.018399 0.850183 1.936847
H 4.680154 0.438877 -2.317447
H 5.129039 1.942421 -1.490390
H 5.552704 -1.873200 0.587216
H 4.902240 -1.830665 -1.063363
H 1.443315 -0.304028 1.605840
H 1.252063 1.275449 0.750139
H 0.369405 0.166094 -1.249353
H 0.742980 -1.460024 -0.587230
H -0.919354 -0.955432 1.187679
H -1.959644 -0.121389 -1.479604
H -2.098205 -1.787092 -0.853001
H -3.427621 -0.839092 1.147944
H -2.798231 1.596968 0.925604
H -3.612702 1.636487 -0.690315
H -6.665977 -2.028055 -1.526297
H -7.379358 1.930161 1.477326
H -9.017486 -1.304028 -0.951637
H -9.375793 0.666493 0.579671


