%chk=000177831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177831

0 1
 O   0.6132000     -0.6711000      -1.175600    
 O   -2.256000     -0.9078000      0.3690000    
 O   -4.653000       1.228600       1.789800    
 O   -4.437400     -0.8546000       2.668400    
 N  -0.9977000      0.9948000      -1.219400    
 N    7.400100      -1.116800      0.5579000    
 N   -4.073200     -0.8541000      -1.078900    
 C    4.545600     -0.5262000      0.2060000    
 C    1.312700       1.508800     -0.4487000    
 C    3.425100      0.1435000     -0.5847000    
 C    2.420700      0.8162000      0.3441000    
 C    5.539900      0.5124000      0.7406000    
 C    5.282400      -1.562600     -0.6518000    
 C   0.7042000       2.639500      0.3737000    
 C  -0.4102000       3.289500     -0.4234000    
 C    6.722000     -0.1616000       1.437000    
 C    6.474100      -2.154900      0.1001000    
 C   0.2782000      0.4944000     -0.9462000    
 C   -1.494200       2.264200     -0.6904000    
 C   -2.002500      0.1166000      -1.804300    
 C   -2.765400     -0.5858000     -0.7015000    
 C   -5.012400      -1.560600     -0.2376000    
 C   -5.751800     -0.5699000      0.6631000    
 C   -5.971900      -2.376900      -1.100600    
 C   -4.892300     -0.1056000       1.813200    
 H    4.109300      -1.061500       1.060900    
 H    1.746000       1.957800      -1.353800    
 H    2.932300     -0.6157000      -1.198200    
 H    3.844500      0.8772000      -1.284800    
 H    2.942300       1.560800      0.9557000    
 H    1.993200      8.0600001E-02   1.037100    
 H    5.913400       1.135200     -8.2699999E-02
 H    5.054600       1.185900       1.454900    
 H    4.597500      -2.369600     -0.9383000    
 H    5.633400      -1.096400      -1.581800    
 H   0.3123000       2.258300       1.325100    
 H    1.466700       3.390600      0.6112000    
 H  -1.6300000E-02   3.676200      -1.371300    
 H  -0.8276000       4.140400      0.1259000    
 H    7.441400      0.6060000       1.742800    
 H    6.385500     -0.6656000       2.351400    
 H    7.012900      -2.837400     -0.5662000    
 H    6.125700      -2.750600      0.9528000    
 H   -2.028000       2.039900      0.2408000    
 H   -2.217900       2.682600      -1.398800    
 H    8.169800      -1.552600       1.065100    
 H   -1.521700     -0.6511000      -2.420100    
 H   -2.662100      0.7081000      -2.447300    
 H   -4.411000     -0.5031000      -1.970600    
 H   -4.442000      -2.263700      0.3824000    
 H   -6.100900      0.2980000      9.0400003E-02
 H   -6.640900      -1.031400       1.109500    
 H   -5.421200      -3.076000      -1.739500    
 H   -6.660400      -2.956600     -0.4773000    
 H   -6.565900      -1.728600      -1.754500    
 H   -4.081300       1.511600       2.534900    


%chk=000177831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177831

0 1
O -0.213850 0.374765 -1.245607
O -4.386026 1.496839 0.123416
O -5.513046 -0.919803 -1.761350
O -6.701460 -1.336466 0.191619
N -1.210082 2.408088 -0.775317
N 6.207762 -2.535736 0.024435
N -2.790733 -0.194029 -0.161104
C 3.703171 -1.036251 -0.273022
C 1.220269 2.083943 -0.196385
C 2.911428 0.201120 -0.761907
C 2.101367 0.922540 0.339465
C 4.751971 -0.701236 0.821109
C 4.407296 -1.738327 -1.464393
C 0.995809 3.195202 0.858402
C 0.068851 4.287432 0.295317
C 5.564336 -1.951795 1.220970
C 5.228416 -2.959383 -1.000751
C -0.112256 1.562398 -0.766047
C -1.309650 3.697414 -0.038700
C -2.469644 1.905040 -1.379462
C -3.316085 1.055678 -0.401825
C -3.412671 -1.166371 0.751513
C -4.377875 -2.139121 -0.010750
C -2.316946 -1.968092 1.483738
C -5.645581 -1.448528 -0.468078
H 2.975967 -1.758487 0.163693
H 1.755416 2.545884 -1.056084
H 2.207413 -0.115374 -1.554202
H 3.620539 0.923345 -1.222150
H 2.792879 1.346527 1.094440
H 1.460133 0.187395 0.864692
H 5.450017 0.067299 0.432063
H 4.259899 -0.287035 1.722445
H 3.655188 -2.055635 -2.213571
H 5.091646 -1.019294 -1.957076
H 0.554358 2.757034 1.776634
H 1.973888 3.623637 1.145714
H 0.523594 4.723705 -0.615350
H -0.066838 5.109794 1.021544
H 6.350469 -1.678038 1.949361
H 4.871904 -2.674414 1.728480
H 5.776059 -3.398440 -1.855455
H 4.519288 -3.739673 -0.617469
H -1.892960 3.530443 0.890277
H -1.892125 4.401581 -0.661973
H 6.877068 -3.279190 0.261068
H -2.208235 1.303970 -2.267556
H -3.082591 2.769747 -1.679649
H -1.890711 -0.412176 -0.622669
H -4.013767 -0.591205 1.480122
H -3.845257 -2.572652 -0.874160
H -4.673773 -2.946535 0.681008
H -1.642498 -1.287049 2.031694
H -2.767535 -2.667869 2.208979
H -1.707712 -2.556564 0.771776
H -6.332693 -0.396754 -1.976412


