%chk=000027258.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027258

0 1
 O   -1.224400      0.8388000       1.622900    
 N   0.7972000     -0.6958000      0.5322000    
 N  -0.5253000     -0.8022000      0.1388000    
 N   -5.473100     -0.5164000     -0.5613000    
 C    3.141300     -0.3585000     -0.2797000    
 C    1.633700     -0.3593000     -0.6237000    
 C    3.505800      0.7860000      0.6789000    
 C    1.578200       2.171500     -0.2268000    
 C    1.218500       1.015400      -1.174900    
 C    3.070900       2.142700      0.1260000    
 C    3.627300      -1.700000      0.2745000    
 C    1.200000       3.514600     -0.8504000    
 C    3.233500      -2.838400     -0.6620000    
 C    5.138300      -1.673800      0.4866000    
 C   -1.464800      1.2000000E-02  0.7466000    
 C   -2.866700     -0.1718000      0.2886000    
 C   -3.893400      0.1296000       1.151300    
 C   -3.095700     -0.6395000     -0.9835000    
 C   -5.181600     -6.0300000E-02  0.6776000    
 C   -4.419600     -0.7947000      -1.361800    
 H    3.678900     -0.1710000      -1.222000    
 H    1.451900      -1.085700      -1.426100    
 H    4.586600      0.8440000      0.8399000    
 H    3.044700      0.6253000       1.661200    
 H    1.004800       2.067000      0.7020000    
 H   0.1522000       1.052300      -1.427800    
 H    1.741700       1.168800      -2.129600    
 H    3.294000       2.921900      0.8647000    
 H    3.667900       2.374100     -0.7658000    
 H    3.173800      -1.898100       1.253700    
 H    1.059500      -1.607300      0.9025000    
 H    1.432100       4.338600     -0.1674000    
 H    1.742400       3.687200      -1.786100    
 H   0.1274000       3.552300      -1.068200    
 H    2.155300      -3.022500     -0.6637000    
 H    3.702100      -3.776900     -0.3442000    
 H    3.555600      -2.642500      -1.690500    
 H    5.424500      -1.040300       1.331300    
 H    5.511900      -2.677600      0.7198000    
 H    5.666900      -1.325900     -0.4075000    
 H  -0.7564000      -1.533700     -0.5254000    
 H   -3.730600      0.4942000       2.158900    
 H   -2.316100     -0.8591000      -1.702500    
 H   -6.041100      0.1554000       1.303900    
 H   -4.676000      -1.152000      -2.353900    


%chk=000027258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027258

0 1
O -1.255676 0.933590 1.611566
N 0.841391 -0.632342 0.477133
N -0.528215 -0.798052 0.199296
N -5.626700 -0.618573 -0.528784
C 3.196131 -0.339208 -0.259071
C 1.698410 -0.292485 -0.692422
C 3.493140 0.807105 0.747174
C 1.610335 2.245858 -0.240903
C 1.322941 1.104083 -1.243838
C 3.096332 2.193332 0.186960
C 3.671194 -1.738512 0.260700
C 1.237683 3.618373 -0.837592
C 3.219508 -2.906247 -0.653379
C 5.213356 -1.784191 0.412660
C -1.497023 0.038056 0.754040
C -2.908342 -0.229984 0.268523
C -3.979459 0.118746 1.127378
C -3.227588 -0.758152 -1.008854
C -5.305430 -0.096759 0.695333
C -4.587268 -0.930893 -1.357679
H 3.771776 -0.133765 -1.189814
H 1.547275 -1.034869 -1.515906
H 4.568552 0.811249 1.005437
H 2.931244 0.621093 1.683702
H 0.984399 2.063263 0.655043
H 0.252663 1.115374 -1.531139
H 1.904323 1.270711 -2.175685
H 3.294042 2.973133 0.948869
H 3.735584 2.435469 -0.690451
H 3.241751 -1.903809 1.274631
H 1.204001 -1.387084 1.072078
H 1.425015 4.431754 -0.111571
H 1.832833 3.835133 -1.747277
H 0.167343 3.657700 -1.114787
H 2.120034 -3.009811 -0.704942
H 3.623860 -3.865215 -0.279625
H 3.593871 -2.763345 -1.685398
H 5.586207 -1.039495 1.136519
H 5.541108 -2.781081 0.761143
H 5.703798 -1.588937 -0.561061
H -0.826020 -1.541164 -0.448215
H -3.760853 0.559677 2.104345
H -2.454549 -0.999158 -1.747273
H -6.153716 0.155818 1.340867
H -4.865161 -1.327985 -2.340630


