%chk=000162522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162522

0 1
 O   -3.651600      0.9645000     -0.9652000    
 O    5.821700      -1.140600      0.6696000    
 O    4.000800       1.908400      9.5799997E-02
 N   -1.637800       1.879100      -1.713700    
 N    3.620700     -0.2173000     -0.7711000    
 C  -0.1675000      0.2116000      -1.083700    
 C   -1.482600     -8.9999998E-04 -0.2350000    
 C  -0.2280000       1.669900      -1.520600    
 C    1.171600     -0.1221000     -0.4365000    
 C   -2.427800      0.9690000      -1.009600    
 C   -1.294600      0.4547000       1.234600    
 C   -2.081900      -1.426000     -0.2994000    
 C    2.341200      0.1232000      -1.373900    
 C   -2.134600       3.017500      -2.456800    
 C   -1.038400     -0.4882000       2.231100    
 C   -3.325400      -1.680600      0.2729000    
 C   -1.380800       1.808300       1.563100    
 C   -1.375000      -2.446700     -0.9296000    
 C   -2.218100       4.254500      -1.586700    
 C    3.984400      -1.629600     -0.7490000    
 C    4.340900      0.7334000     -5.2200001E-02
 C  -0.8690000     -7.8299999E-02   3.553600    
 C   -3.865900      -2.965300      0.2148000    
 C   -1.211300       2.218100       2.885500    
 C   -1.915600      -3.731300     -0.9879000    
 C    5.468600      -1.823400     -0.5266000    
 C  -0.9554000       1.274800       3.880700    
 C   -3.161100      -3.990400     -0.4157000    
 C    5.672500      0.2538000      0.5115000    
 H  -0.2510000     -0.3598000      -2.019900    
 H   0.1497000       2.372600     -0.7721000    
 H   0.2953000       1.833900      -2.468200    
 H    1.321900      0.4804000      0.4677000    
 H    1.174800      -1.166500     -0.1061000    
 H    2.382500       1.180500      -1.656800    
 H    2.230600     -0.4512000      -2.300900    
 H   -3.136800       2.775900      -2.827400    
 H   -1.485700       3.187400      -3.322000    
 H  -0.9309000      -1.546600       2.014800    
 H   -3.888300     -0.9034000      0.7819000    
 H   -1.585700       2.579500      0.8314000    
 H  -0.3981000      -2.313200      -1.376700    
 H   -2.889600       4.094700     -0.7366000    
 H   -1.234800       4.527000      -1.189500    
 H   -2.598400       5.101900      -2.165300    
 H    3.420300      -2.088100      7.1099997E-02
 H    3.683900      -2.098800      -1.691400    
 H  -0.6622000     -0.8116000       4.327600    
 H   -4.834000      -3.168100      0.6635000    
 H   -1.279900       3.271400       3.141300    
 H   -1.365600      -4.531300      -1.474800    
 H    6.064600      -1.444700      -1.365600    
 H    5.699300      -2.885300     -0.3984000    
 H  -0.8219000       1.594100       4.910100    
 H   -3.581200      -4.991000     -0.4594000    
 H    6.470800      0.6299000     -0.1391000    
 H    5.803600      0.7108000       1.497800    


%chk=000162522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162522

0 1
O -3.749622 1.104884 -0.810403
O 5.935693 -0.727596 0.860351
O 4.077510 2.017824 -0.794518
N -1.726082 1.950591 -1.648471
N 3.623797 -0.274831 -0.744806
C -0.203605 0.211876 -1.120083
C -1.525907 -0.012198 -0.282750
C -0.278797 1.696970 -1.570827
C 1.123964 -0.143177 -0.421389
C -2.493732 1.045694 -0.931683
C -1.307450 0.359694 1.209953
C -2.118476 -1.427609 -0.413869
C 2.316842 -0.073194 -1.405785
C -2.302104 3.112183 -2.341319
C -0.953504 -0.641678 2.151941
C -3.403346 -1.685664 0.137737
C -1.382879 1.703935 1.659365
C -1.430605 -2.500297 -1.035270
C -2.015105 4.452589 -1.629326
C 3.974847 -1.639520 -0.286351
C 4.400002 0.836003 -0.450808
C -0.680553 -0.310754 3.497066
C -3.983195 -2.968065 0.054022
C -1.113147 2.037463 3.005145
C -2.007835 -3.789783 -1.114988
C 5.488658 -1.763120 -0.079737
C -0.756482 1.032280 3.931487
C -3.288458 -4.029860 -0.572052
C 5.734170 0.605182 0.277198
H -0.305282 -0.398943 -2.039663
H 0.217362 2.367740 -0.839345
H 0.193480 1.864744 -2.556701
H 1.306511 0.556633 0.414568
H 1.056151 -1.156133 0.019743
H 2.361591 0.921655 -1.880231
H 2.202324 -0.837742 -2.201207
H -3.390610 2.934029 -2.393789
H -1.905993 3.139630 -3.375823
H -0.909690 -1.689288 1.834847
H -3.950081 -0.866415 0.612849
H -1.672401 2.498547 0.962697
H -0.435367 -2.350220 -1.466804
H -2.457649 4.459654 -0.617634
H -0.930467 4.644645 -1.540335
H -2.459880 5.286196 -2.202289
H 3.454200 -1.875401 0.663147
H 3.633854 -2.364805 -1.051602
H -0.413830 -1.102551 4.206403
H -4.979722 -3.138847 0.476662
H -1.186681 3.081608 3.329733
H -1.455165 -4.602461 -1.600573
H 6.026518 -1.669007 -1.048137
H 5.744928 -2.726712 0.389117
H -0.549246 1.289514 4.976170
H -3.738719 -5.027015 -0.634538
H 6.546356 0.842485 -0.443657
H 5.796108 1.319135 1.113564


