%chk=000174465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174465

0 1
 O    1.600100     -0.3410000      -1.063200    
 O    2.602500       2.476200     -0.4665000    
 O   0.5198000       2.185000       1.254700    
 O    4.725800     -0.6283000      0.8080000    
 O   -1.968700       2.157800     -0.6314000    
 N  -0.5722000     -0.4700000     -0.1172000    
 N   -1.679300      -2.346600      0.3988000    
 N   -3.883900      -1.329800      0.3172000    
 N   -3.945000       1.035000     -0.2309000    
 C    2.882000      9.2100002E-02 -0.5520000    
 C    2.605400       1.298300      0.3400000    
 C    1.199100       1.019900      0.8330000    
 C   0.5605000      0.4073000     -0.4041000    
 C    3.516100      -1.069400      0.2003000    
 C   -1.898200     -0.1375000     -0.1009000    
 C    3.816800      -2.242300     -0.7194000    
 C  -0.4939000      -1.808300      0.1893000    
 C   -2.542800      -1.308800      0.2177000    
 C   -2.557100       1.120800     -0.3481000    
 C   -4.486900     -0.1103000      7.4699998E-02
 H    3.507300      0.3758000      -1.407100    
 H    3.312700       1.471500       1.153700    
 H    1.221400      0.3065000       1.664800    
 H   0.2151000       1.163400      -1.116600    
 H    2.850300      -1.434000      0.9919000    
 H    4.309300      -3.045800     -0.1606000    
 H    2.908100      -2.646300      -1.175200    
 H    4.508900      -1.948200      -1.516100    
 H    3.508800       2.605400     -0.7946000    
 H   0.5451000       2.828200      0.5259000    
 H   0.4479000      -2.336200      0.2510000    
 H    4.497600     -0.2020000       1.651100    
 H   -4.427700      -2.154500      0.5477000    
 H   -5.583200     -0.1737000      0.1663000    


%chk=000174465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174465

0 1
O 1.647105 -0.628852 -0.924881
O 2.389549 2.428181 -0.671817
O 0.400792 2.042250 1.326765
O 5.104706 -0.433909 0.587532
O -1.811257 2.298958 -0.252313
N -0.607617 -0.599640 -0.192866
N -1.934174 -2.432471 0.148784
N -4.070623 -1.151334 0.270855
N -3.914169 1.244126 -0.011991
C 2.957914 0.007528 -0.527723
C 2.570734 1.299769 0.240458
C 1.158216 0.956268 0.792699
C 0.568249 0.242766 -0.457453
C 3.780937 -1.022761 0.281500
C -1.920838 -0.116044 -0.072214
C 4.058237 -2.293590 -0.522754
C -0.666531 -1.979600 -0.054262
C -2.696319 -1.276896 0.133102
C -2.488040 1.223062 -0.125019
C -4.606430 0.130589 0.172797
H 3.500125 0.250927 -1.460120
H 3.278780 1.548740 1.054593
H 1.274244 0.202526 1.597874
H 0.288925 0.993253 -1.221131
H 3.236075 -1.273004 1.217736
H 4.580388 -3.037523 0.101622
H 3.116929 -2.728627 -0.899206
H 4.704275 -2.053156 -1.385848
H 3.268465 2.798902 -0.932443
H -0.247012 2.400906 0.642541
H 0.214438 -2.606674 -0.139720
H 5.038646 0.156735 1.379651
H -4.656431 -1.975502 0.423302
H -5.696588 0.194298 0.262150


