%chk=000148806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148806

0 1
 O    4.488600       2.310000     -0.3853000    
 O    1.777700       1.781600     -6.3699998E-02
 O    1.188300       1.104700      -2.592100    
 O   -4.259600     -0.5052000      -1.005000    
 N    3.642600      -1.001200       1.031200    
 N   -3.545600      0.5726000      0.9597000    
 N   -5.719500     -0.1913000      0.7597000    
 C    3.726000      -2.351000      0.4640000    
 C    4.113500     -1.4900000E-02  7.3600002E-02
 C    4.045100       1.408200      0.6326000    
 C    2.854600      -2.406000     -0.7953000    
 C    3.210000      -3.350800       1.504400    
 C    5.184400      -2.664900      0.1098000    
 C    2.640600       1.819900       1.068700    
 C   0.4639000       1.477700      0.1739000    
 C  -0.3041000      0.8210000     -0.7877000    
 C  -0.1045000       1.832600       1.397300    
 C   -1.640500      0.5194000     -0.5259000    
 C   -2.209100      0.8745000      0.6974000    
 C   -1.440900       1.531000       1.658900    
 C   0.2704000      0.4422000      -2.071200    
 C  -0.2471000     -0.7859000      -2.810200    
 C   -4.477100     -7.9899997E-02  0.1270000    
 C   -6.865700     -0.8172000      0.1417000    
 C   -6.791900      -2.327100      0.2365000    
 H    4.199100     -0.9448000       1.883800    
 H    3.535300     -1.7700000E-02 -0.8556000    
 H    5.159100     -0.1724000     -0.2117000    
 H    4.732400       1.510000       1.480200    
 H    2.710200      -3.447900      -1.108100    
 H    1.855800      -1.991300     -0.6149000    
 H    3.293800      -1.897200      -1.659600    
 H    3.242800      -4.376200       1.119100    
 H    2.171400      -3.135900       1.782600    
 H    3.813300      -3.322900       2.419400    
 H    5.543300      -2.135700     -0.7790000    
 H    5.861600      -2.444100      0.9434000    
 H    5.296200      -3.733300     -0.1140000    
 H    2.313400       1.155200       1.877300    
 H    2.664900       2.852600       1.436700    
 H    3.850000       2.268500      -1.117800    
 H   0.4443000       2.374600       2.161700    
 H   -2.202400      3.0600000E-02  -1.307100    
 H   -1.873500       1.819900       2.613600    
 H   -3.890700      0.8618000       1.871600    
 H   0.5643000      -1.205600      -3.412600    
 H  -0.5637000      -1.560000      -2.105900    
 H   -1.075300     -0.5004000      -3.463100    
 H   -5.821600      0.1745000       1.701200    
 H   -6.914600     -0.5076000     -0.9076000    
 H   -7.758700     -0.4462000      0.6540000    
 H   -7.679500      -2.781400     -0.2143000    
 H   -6.733900      -2.651100       1.281100    
 H   -5.909400      -2.716900     -0.2813000    


%chk=000148806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148806

0 1
O 3.073412 1.933248 -0.749546
O 1.409039 0.010173 0.381058
O 1.051350 0.635432 -2.272645
O -4.929464 0.236302 -1.418692
N 4.987150 -0.763789 1.066759
N -4.213403 0.389809 0.828487
N -6.498730 0.418102 0.305894
C 5.406920 -2.197956 0.932180
C 4.333094 -0.104872 -0.088644
C 3.526484 1.134041 0.379660
C 4.146857 -3.093099 0.821850
C 6.169939 -2.551040 2.232541
C 6.334612 -2.435347 -0.297400
C 2.345805 0.734586 1.281609
C 0.040946 0.204186 0.500927
C -0.747632 0.179611 -0.694490
C -0.598908 0.330500 1.758535
C -2.163734 0.211628 -0.589191
C -2.800962 0.330397 0.668466
C -1.999672 0.402580 1.840323
C -0.124330 0.203366 -2.059662
C -0.962358 -0.262805 -3.246713
C -5.193559 0.338642 -0.180690
C -7.659145 0.354141 -0.598279
C -8.437147 -0.974277 -0.488407
H 5.780407 -0.198576 1.405547
H 3.632527 -0.813068 -0.563965
H 5.038066 0.241936 -0.876283
H 4.193241 1.799163 0.964269
H 4.434375 -4.160449 0.831600
H 3.469203 -2.897439 1.671447
H 3.586790 -2.906186 -0.111811
H 6.501641 -3.604685 2.218922
H 5.520013 -2.394931 3.111912
H 7.069669 -1.914907 2.348739
H 5.825716 -2.153382 -1.237114
H 7.258995 -1.832024 -0.213322
H 6.626249 -3.499628 -0.376386
H 2.686428 0.056154 2.084968
H 1.844653 1.632680 1.688224
H 2.365875 1.425781 -1.255470
H 0.001394 0.343356 2.673514
H -2.793196 0.178241 -1.479339
H -2.475628 0.499341 2.825056
H -4.534426 0.495458 1.792860
H -0.305794 -0.359164 -4.124662
H -1.466139 -1.223350 -3.041611
H -1.751116 0.476723 -3.482019
H -6.677506 0.447047 1.310894
H -7.258629 0.478484 -1.618301
H -8.329150 1.210997 -0.390666
H -9.292119 -0.974524 -1.189264
H -8.836877 -1.130308 0.531349
H -7.783225 -1.827197 -0.739917


