%chk=000060372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060372

1 1
 O   -1.622500      0.7610000      0.3650000    
 O   -4.416900       1.042800      0.6665000    
 O   -6.086200     -0.6304000     -0.7833000    
 N    3.856100     -0.2650000     -0.1431000    
 C    2.357800      1.5400000E-02 -4.3000001E-03
 C    4.627800      0.7918000      0.6418000    
 C    4.228600     -0.2225000      -1.622500    
 C    4.239600      -1.638400      0.4039000    
 C    1.914400       1.213900     -0.4533000    
 C    1.601000     -0.9587000      0.5558000    
 C  -0.2906000      0.5111000      0.2408000    
 C   0.5490000       1.469500     -0.3269000    
 C   0.2355000     -0.7032000      0.6822000    
 C   -2.502000     -0.3612000      0.3089000    
 C   -3.861800      7.3600002E-02 -0.2256000    
 C   -4.829700      -1.099700     -0.3060000    
 H    4.277300      0.7843000       1.678900    
 H    5.691200      0.5340000      0.6031000    
 H    4.484600       1.775200      0.1858000    
 H    4.091200      0.7896000      -2.013100    
 H    5.283700     -0.4996000      -1.715000    
 H    3.602800     -0.9402000      -2.162600    
 H    3.732600      -2.419300     -0.1725000    
 H    5.320600      -1.760200      0.2700000    
 H    4.019200      -1.682500       1.475500    
 H    2.544800       1.973700     -0.8986000    
 H    1.942100      -1.916200      0.9230000    
 H   0.1445000       2.417000     -0.6726000    
 H  -0.3787000      -1.464300       1.154300    
 H   -2.112600      -1.140900     -0.3586000    
 H   -2.606400     -0.7623000       1.324300    
 H   -3.762800      0.5702000      -1.196600    
 H   -4.998000      -1.555900      0.6752000    
 H   -4.466300      -1.868200     -0.9945000    
 H   -4.510700      0.6275000       1.540900    
 H   -6.394600      5.5199999E-02 -0.1663000    


%chk=000060372-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060372

1 1
O -1.679429 0.479286 -0.357415
O -4.330200 1.212053 0.732839
O -6.466745 -0.389565 -0.273028
N 3.999416 -0.219875 -0.057539
C 2.476070 -0.097080 -0.109668
C 4.576820 0.885629 0.840362
C 4.577920 -0.085022 -1.475131
C 4.462206 -1.563019 0.506029
C 1.920441 1.106823 -0.614238
C 1.635593 -1.139456 0.326015
C -0.329336 0.213025 -0.241771
C 0.529913 1.259766 -0.678951
C 0.232991 -0.988586 0.261279
C -2.658734 -0.536784 0.090478
C -4.050988 0.055675 -0.139863
C -5.175403 -0.992216 0.019415
H 4.144913 0.778936 1.846091
H 5.672463 0.780737 0.876604
H 4.308793 1.867815 0.428669
H 4.308961 0.896828 -1.886987
H 5.673621 -0.183267 -1.424571
H 4.146910 -0.877644 -2.103870
H 4.093264 -2.377951 -0.133152
H 5.562669 -1.569505 0.511170
H 4.089200 -1.680014 1.533614
H 2.546449 1.935898 -0.960582
H 2.027470 -2.080069 0.719226
H 0.080416 2.179651 -1.062267
H -0.400289 -1.811885 0.601193
H -2.530467 -1.459581 -0.511270
H -2.486766 -0.770943 1.162265
H -4.102211 0.486629 -1.154074
H -5.149466 -1.422820 1.048659
H -5.058778 -1.813848 -0.708501
H -4.241328 0.944638 1.685666
H -6.501760 0.492840 0.183804


