%chk=000027917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027917

0 1
 O    2.841300       2.571500     -2.0700000E-02
 N    1.280300      -2.681300     -0.1946000    
 N   -5.999200       1.234600     -0.3037000    
 C   -1.582000     -0.7323000      0.9628000    
 C  -0.2923000      -1.269900      0.4851000    
 C   -2.534600     -0.3410000     -0.1830000    
 C   0.8858000     -0.5223000      0.2059000    
 C   -3.846600      0.2522000      0.3350000    
 C    1.857100      -1.431400     -0.2186000    
 C  -1.8700000E-02  -2.593700      0.2290000    
 C    1.220100      0.8448000      0.2737000    
 C   -4.759600      0.6647000     -0.8183000    
 C    3.151300      -1.040300     -0.5799000    
 C    2.510700       1.250700     -8.4600002E-02
 C    3.459900      0.3211000     -0.5046000    
 C    1.826300       3.472500      0.4165000    
 H   -2.076800      -1.477300       1.599500    
 H   -1.406900      0.1408000       1.603700    
 H   -2.747900      -1.222900     -0.8004000    
 H   -2.038100      0.3876000     -0.8368000    
 H   -4.355200     -0.4848000      0.9691000    
 H   -3.627000       1.123400      0.9651000    
 H  -0.6301000      -3.481800      0.3091000    
 H    1.748600      -3.538800     -0.4530000    
 H   0.4441000       1.524000      0.6049000    
 H   -4.997000     -0.2050000      -1.440300    
 H   -4.258200       1.402900      -1.453800    
 H    3.890900      -1.763400     -0.9069000    
 H    4.458700      0.6521000     -0.7796000    
 H   -6.574400       1.551500      -1.083000    
 H   -5.791400       2.062400      0.2532000    
 H    2.261000       4.477500      0.4069000    
 H    1.522000       3.267600       1.448500    
 H   0.9756000       3.487600     -0.2735000    


%chk=000027917-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027917

0 1
O 2.780745 2.603007 -0.124586
N 1.408046 -2.814532 -0.112388
N -5.984814 1.366857 -0.300589
C -1.653547 -0.927100 0.972117
C -0.299250 -1.427734 0.531494
C -2.483746 -0.281464 -0.172966
C 0.867845 -0.619104 0.217242
C -3.849782 0.250093 0.312517
C 1.920539 -1.512233 -0.182516
C 0.074567 -2.756920 0.319826
C 1.112794 0.783125 0.252090
C -4.688643 0.878791 -0.818229
C 3.201931 -1.041942 -0.550461
C 2.393178 1.244614 -0.113417
C 3.428053 0.343245 -0.513732
C 1.776196 3.582949 0.279085
H -2.239548 -1.760825 1.406390
H -1.532430 -0.178934 1.783328
H -2.636082 -1.034748 -0.971755
H -1.898710 0.541003 -0.631828
H -4.440899 -0.566981 0.770186
H -3.687149 1.006693 1.110876
H -0.514146 -3.663935 0.448198
H 1.923554 -3.664472 -0.326668
H 0.320779 1.471327 0.561745
H -4.897009 0.104593 -1.582106
H -4.075057 1.667686 -1.321785
H 4.002681 -1.724765 -0.855284
H 4.398890 0.767205 -0.787043
H -6.652896 1.646652 -1.025643
H -5.892081 2.084232 0.426592
H 2.274812 4.560667 0.200864
H 1.444424 3.416591 1.323720
H 0.894455 3.559659 -0.392575


