%chk=000039547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039547

0 1
 O   0.8061000      0.8797000       1.481200    
 N   -3.922800     -0.2206000      0.1257000    
 C    2.812800      0.6645000      7.2200000E-02
 C    3.241000     -0.7573000      0.5859000    
 C    2.355600      -1.449800     -0.4798000    
 C    1.239800      0.6165000      0.1451000    
 C   0.9434000     -0.8573000     -0.2315000    
 C    3.226800      0.5919000      -1.426500    
 C    2.860800     -0.8506000      -1.812800    
 C    3.445800       1.844800      0.7919000    
 C    2.869600      -1.120000       2.038000    
 C    4.747500      -1.080600      0.4595000    
 C   0.4863000       1.607900     -0.7432000    
 C  -0.9607000       1.414600     -0.6310000    
 C   -2.149300       1.263100     -0.5450000    
 C   -3.600200       1.082800     -0.4407000    
 C   -3.389100      -1.294800     -0.7141000    
 C   -5.370900     -0.3714000      0.2823000    
 C   -3.711500      -2.639100     -0.1467000    
 C   -5.931000      0.6755000       1.189500    
 H    2.368500      -2.542400     -0.4682000    
 H   0.3318000     -0.9612000      -1.134600    
 H   0.4306000      -1.396300      0.5724000    
 H    4.302600      0.7591000      -1.555000    
 H    2.746400       1.332900      -2.068100    
 H    2.099300     -0.8790000      -2.599300    
 H    3.738600      -1.387600      -2.187300    
 H    3.098200       2.792500      0.3675000    
 H    3.203800       1.847800       1.859100    
 H    4.536900       1.826800      0.7023000    
 H    3.360300     -0.4419000       2.744700    
 H    1.802300      -1.108400       2.259400    
 H    3.203500      -2.138100       2.273000    
 H    5.327600     -0.4999000       1.185800    
 H    4.927300      -2.142700      0.6645000    
 H    5.181800     -0.8821000     -0.5218000    
 H   0.7449000       1.498400      -1.799600    
 H   0.7302000       2.635400     -0.4487000    
 H  -9.4700001E-02  0.5324000       1.592800    
 H   -3.954700       1.897600      0.1993000    
 H   -4.063900       1.218900      -1.426100    
 H   -2.296500      -1.235400     -0.7683000    
 H   -3.766400      -1.228500      -1.742900    
 H   -5.612200      -1.326500      0.7598000    
 H   -5.889300     -0.3491000     -0.6846000    
 H   -3.489600      -2.701100      0.9245000    
 H   -4.753100      -2.932900     -0.3111000    
 H   -3.101200      -3.403900     -0.6418000    
 H   -5.351500      0.7741000       2.114300    
 H   -6.001100       1.658000      0.7123000    
 H   -6.953100      0.4061000       1.480700    


%chk=000039547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039547

0 1
O 0.582275 0.618044 1.300188
N -4.045170 -0.174221 0.030473
C 2.767539 0.651470 0.133968
C 3.272949 -0.798271 0.573488
C 2.594345 -1.499905 -0.658078
C 1.207453 0.432476 -0.026777
C 1.108801 -1.059671 -0.522321
C 3.366096 0.727098 -1.312081
C 3.195855 -0.729399 -1.874453
C 3.148278 1.828907 1.034936
C 2.764129 -1.297526 1.949332
C 4.816551 -0.950204 0.599766
C 0.516979 1.441287 -1.008881
C -0.952049 1.338321 -0.939623
C -2.174315 1.204799 -0.818616
C -3.637948 1.068522 -0.689847
C -3.654218 -1.398073 -0.726823
C -5.494416 -0.143706 0.371586
C -3.626711 -2.665012 0.147590
C -5.836533 0.845640 1.502418
H 2.729246 -2.594430 -0.706691
H 0.558580 -1.153401 -1.476583
H 0.577975 -1.662591 0.234852
H 4.431129 1.012894 -1.248204
H 2.881717 1.495222 -1.938084
H 2.521273 -0.771001 -2.749858
H 4.163508 -1.157435 -2.190986
H 2.807930 2.792720 0.609627
H 2.686769 1.726752 2.030714
H 4.246643 1.891300 1.151763
H 3.288472 -0.763500 2.764600
H 1.687967 -1.131109 2.096474
H 2.988626 -2.376153 2.062595
H 5.255379 -0.308279 1.386895
H 5.079787 -1.995966 0.848484
H 5.313755 -0.702292 -0.352093
H 0.847824 1.251257 -2.045849
H 0.826593 2.471210 -0.741835
H -0.403600 0.648546 1.162566
H -4.026264 1.935381 -0.124517
H -4.096841 1.122825 -1.712823
H -2.636759 -1.220912 -1.120994
H -4.321933 -1.557310 -1.612997
H -5.774305 -1.158522 0.704176
H -6.121112 0.079928 -0.531712
H -2.961191 -2.509835 1.014470
H -4.627152 -2.939647 0.527778
H -3.249166 -3.523091 -0.438875
H -5.213945 0.634864 2.389110
H -5.672902 1.898898 1.210642
H -6.900593 0.745900 1.786110


