%chk=000005026.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005026

0 1
 O   -2.286400       1.128500      0.1865000    
 O   -1.683300       2.706600      -1.396400    
 O  -3.9999999E-02  -2.114200       2.627100    
 O    3.155800      -1.542800     -0.9133000    
 O    3.504900      0.1567000      -2.270000    
 N    1.865000       2.015000       1.254000    
 N    2.997000     -0.3680000      -1.270400    
 N   0.3358000      -1.096700       1.766900    
 N  -0.6917000      -3.138100       1.961200    
 C   0.7022000      0.5147000     -0.8723000    
 C  -5.6100000E-02   1.593200     -8.1000000E-02
 C    2.158500      0.4502000     -0.4612000    
 C   4.2399999E-02 -0.8204000     -0.6813000    
 C   0.5376000       2.271700      0.9310000    
 C    2.695700       1.150900      0.5545000    
 C  -7.7699997E-02  -1.473900      0.5506000    
 C   -1.426300       1.894600     -0.5268000    
 C  -0.5069000      -1.500700      -1.774900    
 C  -0.1295000       3.317900       1.783300    
 C    4.122900       1.114800       1.029200    
 C  -0.7307000      -2.771600      0.6741000    
 C   -1.143000      -2.764200      -1.654600    
 C   -1.279500      -3.446300     -0.4319000    
 C   -3.669500       1.308500     -0.1355000    
 C   -3.884800      0.9992000      -1.609200    
 C   -4.512800      0.4143000      0.7605000    
 H   0.6636000      0.8117000      -1.930200    
 H    2.271800       2.541300       2.019100    
 H  -0.4546000      -1.056400      -2.768100    
 H   0.3950000       4.274500       1.686000    
 H  -0.1069000       3.017200       2.836300    
 H   -1.175600       3.486600       1.513000    
 H    4.748700      0.4170000      0.4662000    
 H    4.161700      0.8126000       2.081400    
 H    4.574900       2.108500      0.9398000    
 H   -1.545400      -3.226700      -2.554800    
 H   -3.947000       2.349900      7.1099997E-02
 H   -1.768200      -4.409600     -0.3596000    
 H   -4.948800      0.8378000      -1.816400    
 H   -3.575900       1.811300      -2.271500    
 H   -3.339100      9.9299997E-02  -1.912500    
 H   -5.581500      0.5441000      0.5654000    
 H   -4.319400      0.6405000       1.814600    
 H   -4.252900     -0.6400000      0.6133000    


%chk=000005026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005026

0 1
O -2.579713 1.917435 0.164328
O -1.888049 0.897001 -1.810610
O 0.587257 -2.756799 2.333770
O 4.379137 0.517987 -1.407285
O 2.648204 -0.068199 -2.780311
N 1.511097 1.478001 1.520545
N 3.105441 0.348874 -1.632317
N 0.703965 -1.541191 1.553005
N 0.231243 -3.891714 1.519235
C 0.685316 0.348334 -0.955862
C -0.273242 1.134270 -0.043253
C 2.139905 0.629287 -0.597213
C 0.382874 -1.159869 -0.930837
C 0.147700 1.591432 1.190649
C 2.523621 1.092345 0.653537
C 0.421576 -1.940363 0.280123
C -1.619302 1.291310 -0.640132
C 0.061981 -1.857024 -2.093672
C -0.660675 2.231681 2.295105
C 3.926779 1.255226 1.185965
C 0.134854 -3.373394 0.263258
C -0.220429 -3.274775 -2.110610
C -0.191174 -4.049733 -0.955922
C -3.959685 2.075357 -0.433198
C -4.726472 0.755167 -0.272610
C -4.587518 3.256101 0.310963
H 0.514169 0.669438 -1.997305
H 1.778403 1.711527 2.478130
H 0.025001 -1.301488 -3.035357
H -0.234585 3.214002 2.575439
H -0.636990 1.581977 3.192401
H -1.702827 2.368330 1.989408
H 4.480978 2.018122 0.613746
H 4.502865 0.323407 1.072986
H 3.906515 1.546853 2.252344
H -0.461369 -3.744187 -3.070061
H -3.819180 2.302693 -1.505811
H -0.401392 -5.121912 -0.959340
H -5.749031 0.863688 -0.678671
H -4.223839 -0.057971 -0.821726
H -4.804193 0.477103 0.793555
H -5.592626 3.462703 -0.099077
H -3.972943 4.165635 0.198256
H -4.693647 3.032833 1.387630


