%chk=000017389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017389

0 1
 O  -0.5650000     -0.5546000     -0.3916000    
 O   0.8367000      0.8929000      0.7309000    
 N   -4.150000      4.8099998E-02  0.2171000    
 C   -2.956300     -0.5823000     -0.3457000    
 C   -5.356200     -0.6376000     -0.2450000    
 C   -4.197800       1.464700     -0.1426000    
 C   -1.697400      9.9399999E-02  0.1659000    
 C   -5.323700      -2.112000      0.1205000    
 C   -5.399700       2.150300      0.4847000    
 C    1.744600     -0.8539000     -0.6990000    
 C   0.6566000     -5.3300001E-02 -2.3700001E-02
 C    3.130500     -0.3967000     -0.3233000    
 C    3.752800      0.5858000      -1.079500    
 C    3.762400     -0.9648000      0.7733000    
 C    5.035600       1.009300     -0.7318000    
 C    5.045100     -0.5412000       1.121100    
 C    5.681700      0.4459000      0.3685000    
 H   -2.869700      -1.633100     -4.8400000E-02
 H   -2.966100     -0.5713000      -1.444000    
 H   -5.500300     -0.5303000      -1.327500    
 H   -6.244200     -0.2301000      0.2491000    
 H   -4.206500       1.615400      -1.229300    
 H   -3.340100       2.007800      0.2625000    
 H   -1.631300       1.142600     -0.1535000    
 H   -1.648200      4.7100000E-02   1.260400    
 H   -6.322900      -2.542800     -1.1300000E-02
 H   -5.039700      -2.266900       1.167100    
 H   -4.652100      -2.689100     -0.5225000    
 H   -5.290400       3.237400      0.3963000    
 H   -5.489500       1.918100       1.551500    
 H   -6.337700       1.891500     -1.6200000E-02
 H    1.611800     -0.7754000      -1.784800    
 H    1.620500      -1.909500     -0.4282000    
 H    3.257200       1.032500      -1.936800    
 H    3.274500      -1.732600       1.367000    
 H    5.531000       1.778300      -1.317200    
 H    5.548100     -0.9793000       1.978100    
 H    6.680300      0.7759000      0.6395000    


%chk=000017389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017389

0 1
O -0.309254 0.271352 -1.067265
O 0.653961 2.314843 -0.494043
N -3.921802 -0.016819 -0.106991
C -2.608934 -0.403701 -0.678892
C -4.664915 -1.151948 0.500969
C -4.741946 0.798705 -1.043815
C -1.580617 0.699355 -0.403338
C -4.075963 -1.595172 1.853696
C -5.729121 1.735327 -0.321607
C 2.007642 0.589609 -1.638928
C 0.747016 1.179451 -1.015318
C 2.951124 0.038059 -0.566521
C 3.526140 0.904785 0.398611
C 3.261133 -1.343311 -0.522478
C 4.399435 0.396421 1.385092
C 4.137345 -1.852621 0.464011
C 4.709893 -0.983657 1.420409
H -2.258815 -1.337986 -0.206271
H -2.661313 -0.598979 -1.775559
H -4.716039 -2.027560 -0.195013
H -5.706866 -0.821556 0.663316
H -5.295155 0.149481 -1.769112
H -4.049767 1.416318 -1.646721
H -1.887531 1.677252 -0.815679
H -1.398678 0.819142 0.678293
H -4.665880 -2.429174 2.277877
H -4.087329 -0.753004 2.567081
H -3.031193 -1.942191 1.754338
H -6.299281 2.335646 -1.055077
H -5.181080 2.419893 0.348718
H -6.458890 1.174145 0.289675
H 2.504911 1.403734 -2.196375
H 1.725327 -0.205955 -2.346561
H 3.277280 1.972321 0.379721
H 2.815931 -2.021782 -1.260144
H 4.837587 1.075385 2.125399
H 4.370896 -2.923157 0.484921
H 5.389347 -1.376448 2.185182


