%chk=000057835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057835

0 1
 O   -2.973000      -1.497600      0.5087000    
 O  -0.9317000       2.580600     -0.2003000    
 N   -2.195600      0.6987000      0.3476000    
 C   -1.194000     -0.8913000      -1.030100    
 C  -0.3279000      0.3810000      -1.037600    
 C  -0.4248000      -2.188400     -0.8185000    
 C    1.052800      0.2444000     -0.4309000    
 C   0.5221000      -2.096200      0.3738000    
 C   -2.229600     -0.6441000      4.4799998E-02
 C    1.454700     -0.9239000      0.2402000    
 C   -1.170800       1.382000     -0.2708000    
 C    1.963800       1.308700     -0.5445000    
 C    2.730500     -0.9892000      0.8214000    
 C   -3.128800       1.327000       1.263300    
 C    3.235600       1.227500      2.2299999E-02
 C    3.616700      8.0700003E-02  0.7105000    
 H   -1.754100     -0.9535000      -1.973100    
 H  -0.2241000      0.7265000      -2.074100    
 H   0.1536000      -2.408900      -1.725300    
 H   -1.113600      -3.028300     -0.6700000    
 H    1.095500      -3.029100      0.4336000    
 H  -4.0800001E-02  -1.996400       1.309400    
 H    1.684200       2.215000      -1.076600    
 H    3.043000      -1.881000       1.359300    
 H   -3.334000       2.351700      0.9414000    
 H   -2.664200       1.355800       2.253300    
 H   -4.056900      0.7523000       1.318300    
 H    3.925600       2.060900     -7.0699997E-02
 H    4.604100      1.7100001E-02   1.158000    


%chk=000057835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057835

0 1
O -3.116382 -1.484022 0.393831
O -0.927217 2.627391 -0.062092
N -2.210313 0.698585 0.373469
C -1.180114 -0.892220 -1.086190
C -0.309187 0.398841 -1.058329
C -0.419922 -2.212219 -0.835147
C 1.089200 0.241391 -0.447563
C 0.491538 -2.094117 0.404505
C -2.277550 -0.654931 -0.033784
C 1.463953 -0.931688 0.264002
C -1.140376 1.403023 -0.221964
C 2.009345 1.312368 -0.573425
C 2.763252 -1.004920 0.825683
C -3.160216 1.316193 1.306511
C 3.295496 1.231043 -0.001030
C 3.675522 0.064356 0.702905
H -1.702302 -0.963143 -2.060763
H -0.201285 0.835074 -2.067756
H 0.191426 -2.453408 -1.724838
H -1.159348 -3.021844 -0.698578
H 1.049546 -3.035905 0.557281
H -0.141490 -1.961006 1.306569
H 1.703621 2.219858 -1.106132
H 3.058126 -1.914204 1.364103
H -3.697508 2.143636 0.813418
H -2.626295 1.719888 2.182862
H -3.872591 0.537910 1.623112
H 3.994828 2.067821 -0.103754
H 4.674544 -0.011750 1.146493


