%chk=000028185.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028185

0 1
 O    3.030200       2.422000     -0.3327000    
 O    4.471400      0.7231000      0.5845000    
 N   -1.189600      -1.973900     -0.5627000    
 C   -2.436200      0.9680000     -0.1940000    
 C   -3.244000     -2.5599999E-02  0.6524000    
 C   -3.546000       1.855100     -0.7746000    
 C   -4.367600      0.8024000       1.271500    
 C   -4.562300       2.009700      0.3545000    
 C   -1.647700      0.2580000      -1.296400    
 C   -1.467000       1.784300      0.6767000    
 C  -0.6799000     -0.7332000     -0.7207000    
 C   0.6215000     -0.3605000     -0.3920000    
 C    1.468400      -1.365500      0.1488000    
 C    1.100300      0.9485000     -0.5784000    
 C  -0.3564000      -2.902500     -4.6100002E-02
 C   0.9583000      -2.656400      0.3203000    
 C    2.792300      -1.046600      0.4988000    
 C    2.405400       1.217900     -0.2215000    
 C    3.227200      0.2489000      0.3016000    
 C  -0.9170000      -4.274700      0.1298000    
 C    4.339100       2.101100      0.1804000    
 H   -2.651800     -0.5246000       1.426800    
 H   -3.693300     -0.8031000      2.1100000E-02
 H   -4.032300       1.360200      -1.625000    
 H   -3.178700       2.824700      -1.126900    
 H   -4.089000       1.138300       2.277000    
 H   -5.286100      0.2146000       1.368500    
 H   -5.583600       2.060200     -3.7000000E-02
 H   -4.382100       2.936200      0.9115000    
 H   -1.168500      0.9684000      -1.978500    
 H   -2.344900     -0.2942000      -1.943700    
 H  -0.9493000       2.556100      0.1023000    
 H   -2.024500       2.342400       1.440300    
 H  -0.7701000       1.172100       1.252700    
 H   0.5382000       1.739600      -1.054500    
 H    1.575100      -3.451200      0.7308000    
 H    3.462400      -1.793400      0.9140000    
 H   -1.961000      -4.318200     -0.1981000    
 H  -0.3469000      -4.997600     -0.4622000    
 H  -0.8823000      -4.567900       1.183800    
 H    4.543700       2.741900       1.045700    
 H    5.082300       2.311800     -0.5971000    


%chk=000028185-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028185

0 1
O 3.377185 2.403155 -0.447102
O 4.797753 0.651403 0.373185
N -1.104754 -1.912932 -0.443092
C -2.573427 0.988796 -0.084017
C -3.491256 -0.054779 0.622254
C -3.629200 1.903726 -0.780362
C -4.711667 0.757590 1.146566
C -4.805079 2.029713 0.232660
C -1.632092 0.346331 -1.159298
C -1.766283 1.799734 0.961947
C -0.618771 -0.659225 -0.632461
C 0.761990 -0.320965 -0.365012
C 1.631443 -1.378783 0.131111
C 1.301948 1.000751 -0.582329
C -0.280253 -2.911977 0.039812
C 1.070679 -2.675759 0.330223
C 3.022537 -1.117062 0.408916
C 2.638596 1.202489 -0.306400
C 3.487103 0.162083 0.181916
C -0.916442 -4.275480 0.227195
C 4.763569 2.084487 -0.023732
H -2.965640 -0.605097 1.422329
H -3.813086 -0.810048 -0.118706
H -3.980176 1.404912 -1.705861
H -3.210303 2.885163 -1.072778
H -4.565304 1.051178 2.202506
H -5.637593 0.155804 1.110435
H -5.777622 2.093983 -0.287671
H -4.705759 2.950432 0.836274
H -1.130504 1.158096 -1.719295
H -2.274205 -0.196350 -1.878130
H -1.201073 2.623133 0.484784
H -2.438179 2.250928 1.714375
H -1.045302 1.156495 1.497911
H 0.677498 1.815921 -0.949707
H 1.702702 -3.488874 0.704397
H 3.676031 -1.910391 0.781267
H -1.978045 -4.225410 -0.060387
H -0.418731 -5.043467 -0.394163
H -0.850972 -4.611479 1.279080
H 5.025074 2.703587 0.851206
H 5.445311 2.234588 -0.878147


