%chk=000038507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038507

0 1
 O    3.778400       2.290300      0.4004000    
 O    1.584300       2.318400      0.3413000    
 N   -3.481800     -9.0099998E-02 -0.1671000    
 N   0.2202000      0.2695000     -2.2399999E-02
 N    2.676200       1.707000      0.2761000    
 C   -2.200600      0.5932000      7.7000000E-03
 C   -1.050300     -0.3882000     -0.1627000    
 C   -4.588000      0.8582000     -4.1600000E-02
 C   -3.622000      -1.170900      0.8080000    
 C   -4.458600       1.989100      -1.048100    
 C   -4.921000      -1.931300      0.6018000    
 C    1.443800     -0.3847000     -9.1600001E-02
 C    2.664200      0.3015000      5.2499998E-02
 C    1.481500      -1.773600     -0.3111000    
 C    3.879800     -0.3785000     -2.0500001E-02
 C    2.697300      -2.453600     -0.3841000    
 C    3.896400      -1.756200     -0.2388000    
 H   -2.136800       1.084500      0.9881000    
 H   -2.054800       1.368600     -0.7523000    
 H   -1.120600     -0.8703000      -1.145800    
 H   -1.079900      -1.157400      0.6128000    
 H   -5.541600      0.3698000     -0.2668000    
 H   -4.659600       1.274000      0.9714000    
 H   -2.850700      -1.933500      0.6753000    
 H   -3.560900     -0.8072000       1.841300    
 H   0.2082000       1.269100      0.1281000    
 H   -3.694500       2.719100     -0.7632000    
 H   -4.241600       1.616500      -2.055100    
 H   -5.405200       2.538900      -1.102900    
 H   -5.793600      -1.371300      0.9517000    
 H   -5.070400      -2.204100     -0.4487000    
 H   -4.897700      -2.862500       1.179700    
 H   0.5761000      -2.361700     -0.4331000    
 H    4.835700      0.1277000      8.7499999E-02
 H    2.710900      -3.526100     -0.5547000    
 H    4.842700      -2.286200     -0.2959000    


%chk=000038507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038507

0 1
O 3.974926 1.953218 1.309918
O 1.701521 2.104421 1.336002
N -3.517358 0.019444 0.142958
N 0.247093 0.234296 0.218698
N 2.812361 1.475250 1.004553
C -2.186434 0.636169 0.341379
C -1.067466 -0.319886 -0.126437
C -4.573305 0.994551 -0.243522
C -3.917230 -0.859489 1.277539
C -4.441584 1.475369 -1.700838
C -4.894625 -1.974728 0.860009
C 1.444515 -0.361012 -0.086679
C 2.720769 0.218044 0.281802
C 1.489838 -1.610035 -0.797772
C 3.945173 -0.424310 -0.047719
C 2.704570 -2.227050 -1.112587
C 3.947835 -1.639420 -0.739966
H -2.008055 0.922314 1.408056
H -2.125435 1.567347 -0.250395
H -1.165261 -0.466927 -1.220187
H -1.205779 -1.313692 0.348184
H -5.549475 0.489813 -0.128598
H -4.589882 1.874887 0.447692
H -3.000121 -1.328636 1.681245
H -4.357618 -0.262124 2.115193
H 0.329858 1.124670 0.737854
H -3.487114 2.003691 -1.879079
H -4.488474 0.614873 -2.390609
H -5.259843 2.176189 -1.950544
H -5.841120 -1.566449 0.462232
H -4.441115 -2.604572 0.075016
H -5.145369 -2.612978 1.727773
H 0.550212 -2.081764 -1.096743
H 4.872518 0.065806 0.260189
H 2.694885 -3.178642 -1.655973
H 4.892088 -2.130638 -0.991442


