%chk=000045010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045010

0 1
 O   -2.024600      0.8494000       2.055300    
 O    2.638100      -1.843600       1.218200    
 O    2.206700       2.349400      -1.056100    
 O   -1.472700      -2.909800      -2.240700    
 O   -4.210400       2.100000      0.4070000    
 O    3.781700      0.2309000     -0.2181000    
 N   -2.601200     -0.2623000      8.1400000E-02
 C   -2.165100     -0.8764000      -1.170900    
 C   -4.035200     -0.2921000      0.3325000    
 C   -1.694300      0.3201000      0.9858000    
 C  -0.2745000      0.2964000      0.6723000    
 C   -1.857600      -2.351800     -0.9910000    
 C   -4.725400      0.9374000     -0.2291000    
 C   0.2980000       1.343100     -5.0400000E-02
 C   0.5152000     -0.7724000       1.096200    
 C    1.877600     -0.7944000      0.7975000    
 C    1.660500       1.321000     -0.3491000    
 C    2.450100      0.2521000      7.4699998E-02
 C    2.753100      -2.956400      0.3337000    
 C    2.218400       2.225200      -2.476800    
 C    4.661700      0.8343000      0.7275000    
 H   -2.945000     -0.7411000      -1.930400    
 H   -1.286200     -0.3644000      -1.574000    
 H   -4.463400      -1.208700     -8.6400002E-02
 H   -4.183100     -0.3189000       1.418400    
 H   -2.740700      -2.892100     -0.6340000    
 H   -1.049800      -2.523600     -0.2776000    
 H   -4.559500       1.031300      -1.306900    
 H   -5.802000      0.8872000     -3.9400000E-02
 H  -0.3145000       2.178400     -0.3818000    
 H   7.5800002E-02  -1.585600       1.669200    
 H   -1.291300      -3.852800      -2.088400    
 H   -4.677500       2.863500      2.7100001E-02
 H    3.215900      -2.652000     -0.6103000    
 H    1.769800      -3.398900      0.1445000    
 H    3.389500      -3.707700      0.8091000    
 H    1.196900       2.153300      -2.863600    
 H    2.798500       1.348600      -2.782300    
 H    2.688900       3.119100      -2.895100    
 H    5.684500      0.7371000      0.3536000    
 H    4.431800       1.898100      0.8438000    
 H    4.593700      0.3276000       1.695300    


%chk=000045010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045010

0 1
O -2.039604 -0.363262 2.359437
O 2.876483 -1.909009 1.562771
O 1.903657 2.043200 -1.264583
O -2.470610 -2.512976 -2.861231
O -3.961145 2.312176 0.461659
O 3.837895 0.219693 -0.149444
N -2.742026 -0.303219 0.129879
C -2.505092 -0.721354 -1.266615
C -4.143912 -0.097695 0.546907
C -1.753294 -0.315339 1.121320
C -0.311202 -0.229265 0.679859
C -2.559661 -2.253860 -1.416313
C -4.757393 1.184547 -0.033739
C 0.126349 0.810378 -0.177249
C 0.625528 -1.136713 1.222560
C 2.000522 -1.016060 0.920735
C 1.497171 0.943710 -0.473331
C 2.452253 0.049476 0.089929
C 3.851842 -2.625502 0.711467
C 2.581356 1.688988 -2.533466
C 4.413537 1.396108 0.552325
H -3.279264 -0.276896 -1.916883
H -1.529516 -0.366745 -1.628854
H -4.772051 -0.958825 0.239574
H -4.145952 -0.045547 1.648392
H -3.509369 -2.650338 -0.997596
H -1.710014 -2.712355 -0.868105
H -4.759151 1.157945 -1.145824
H -5.812290 1.244370 0.312698
H -0.574979 1.545937 -0.583092
H 0.305396 -1.922205 1.912981
H -2.407854 -3.487124 -3.022212
H -4.373001 3.164969 0.174105
H 4.494538 -1.915821 0.165272
H 3.319616 -3.285507 -0.000993
H 4.446099 -3.233758 1.410188
H 1.887351 1.131236 -3.190978
H 3.487386 1.086948 -2.342794
H 2.846064 2.650450 -2.999293
H 5.479544 1.409914 0.278162
H 3.914971 2.323449 0.217903
H 4.302225 1.274377 1.645172


