%chk=000025522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025522

0 1
 O  -0.3077000       1.182800       2.590300    
 O    3.588600      -2.776900      0.2827000    
 N   -2.641300      1.4000000E-03   1.431400    
 N    2.808500       2.550800     -0.9705000    
 C   -2.756600     -0.9064000      -1.003500    
 C   -1.555300      0.6005000      0.6108000    
 C   -1.494700     -4.8900001E-02 -0.7893000    
 C   -3.985300     -1.9400001E-02 -0.6864000    
 C   -2.683100      -2.058200      1.4800000E-02
 C   -3.943700      0.3613000      0.8141000    
 C   -2.541700      -1.476500       1.430300    
 C  -0.2002000      0.5489000       1.319400    
 C   -5.282600     -0.6722000      -1.057200    
 C   0.8813000       1.222400      0.5123000    
 C   -6.140600     -0.1757000      -1.954700    
 C    2.024700      0.5382000      9.8499998E-02
 C   0.6936000       2.554200      0.1942000    
 C    2.979600       1.253200     -0.6544000    
 C    2.235500     -0.8156000      0.4098000    
 C    1.682900       3.169600     -0.5456000    
 C    4.123400      0.5780000      -1.071900    
 C    3.388300      -1.466100     -2.0600000E-02
 C    4.333300     -0.7680000     -0.7623000    
 C    4.793000      -3.377500     -0.1922000    
 H   -2.788500      -1.294100      -2.027600    
 H   -1.831000       1.656800      0.4889000    
 H  -0.6127000     -0.6880000     -0.9129000    
 H   -1.440400      0.7316000      -1.558200    
 H   -3.879900      0.9073000      -1.269400    
 H   -1.818100      -2.695200     -0.2069000    
 H   -3.569600      -2.698100     -4.7800001E-02
 H   -4.110100       1.441300      0.9224000    
 H   -4.757000     -0.1100000       1.382100    
 H   -3.326700      -1.892500       2.075100    
 H   -1.604200      -1.810600       1.887300    
 H   3.1199999E-02 -0.4849000       1.552400    
 H   -5.552100      -1.598600     -0.5567000    
 H   -1.041800      0.7609000       3.068800    
 H   -7.068000     -0.6940000      -2.173000    
 H   -5.937700      0.7481000      -2.485000    
 H  -0.1711000       3.123700      0.5133000    
 H    1.541700      -1.421100      0.9796000    
 H    1.600000       4.214800     -0.8249000    
 H    4.878100       1.103600      -1.654400    
 H    5.254500      -1.205100      -1.132300    
 H    4.787100      -4.420700      0.1403000    
 H    5.678100      -2.906000      0.2482000    
 H    4.831300      -3.390500      -1.286700    


%chk=000025522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025522

0 1
O -0.711525 1.502235 2.589549
O 3.346333 -2.782220 -0.243965
N -2.678331 0.240453 1.356603
N 3.022180 2.833381 -0.564170
C -2.692886 -1.321243 -0.713694
C -1.452880 0.497762 0.507782
C -1.323436 -0.591549 -0.598762
C -3.826800 -0.245720 -0.851996
C -2.898632 -2.157068 0.579446
C -3.889646 0.526469 0.527227
C -2.727463 -1.193008 1.805212
C -0.236704 0.678207 1.477736
C -5.169727 -0.825514 -1.230144
C 0.933058 1.373443 0.793461
C -5.873910 -0.506439 -2.345213
C 2.038912 0.657169 0.195954
C 0.936328 2.770159 0.716989
C 3.057430 1.446536 -0.481386
C 2.198548 -0.761595 0.241763
C 1.988006 3.454991 0.034691
C 4.163520 0.779163 -1.092548
C 3.299764 -1.382833 -0.362147
C 4.294202 -0.609057 -1.044616
C 4.487890 -3.483969 -0.836626
H -2.698907 -1.979271 -1.600543
H -1.625107 1.489732 0.046143
H -0.537192 -1.328908 -0.350058
H -1.038800 -0.130782 -1.561766
H -3.518943 0.459847 -1.649968
H -2.151170 -2.971007 0.616623
H -3.894816 -2.635902 0.583728
H -3.963528 1.615254 0.359184
H -4.777968 0.216797 1.108068
H -3.566093 -1.288291 2.517386
H -1.801545 -1.409866 2.365494
H 0.078982 -0.315364 1.861894
H -5.601002 -1.552300 -0.522381
H -1.703740 1.297587 2.613346
H -6.850213 -0.955847 -2.558797
H -5.493031 0.215868 -3.078749
H 0.138529 3.331007 1.211853
H 1.482316 -1.400048 0.766429
H 1.982346 4.550027 -0.024254
H 4.907159 1.405148 -1.595101
H 5.153725 -1.091276 -1.519007
H 4.315828 -4.546948 -0.612399
H 5.443602 -3.158631 -0.382111
H 4.528337 -3.337976 -1.933560


