%chk=000018578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018578

0 1
 O    3.717600     -0.5325000       2.009300    
 O   -2.231000      0.5225000      -1.832700    
 O   -3.972800      -1.434900      -1.541800    
 N    2.980100       1.659500      -1.435000    
 C    1.325500       1.597100      0.5122000    
 C    2.679200       1.061400     -0.1225000    
 C   0.1164000       1.053800     -0.3193000    
 C    1.279000       3.139400      0.5592000    
 C    1.211900       1.081500       1.969300    
 C    2.797300     -0.4581000     -0.2023000    
 C   -1.286200       1.371100      0.2197000    
 C    4.336300       1.311300      -1.844000    
 C    2.810200       3.107000      -1.376000    
 C    3.309100      -1.157400      0.8695000    
 C    2.381600      -1.081400      -1.360100    
 C   -2.378900      0.7364000     -0.6316000    
 C    3.410100      -2.545800      0.7800000    
 C    2.482900      -2.469700      -1.449500    
 C   -3.666400      0.3574000      2.2000000E-02
 C    2.997100      -3.201900     -0.3796000    
 C   -4.390400     -0.7056000     -0.4688000    
 C   -4.080600       1.101500       1.104600    
 C    4.230300      -1.358400       3.052800    
 C   -5.591400      -1.043100      0.1554000    
 C   -5.281700      0.7640000       1.728600    
 C   -6.037100     -0.3081000       1.254100    
 C   -3.148100      -2.566900      -1.273800    
 H    3.474800       1.412200      0.5542000    
 H   0.1889000       1.422000      -1.350700    
 H   0.1690000     -3.8600001E-02 -0.3808000    
 H   0.5699000       3.404900       1.362300    
 H   0.7785000       3.651000     -0.2627000    
 H    2.187700       3.608300      0.9448000    
 H    2.099100       1.352400       2.551600    
 H   0.3597000       1.527300       2.494700    
 H    1.067800     -2.0000001E-03   2.015400    
 H   -1.373500      0.9804000       1.237600    
 H   -1.456100       2.452400      0.2342000    
 H    4.510600      0.2412000      -1.983500    
 H    4.558800       1.754700      -2.822700    
 H    5.088100       1.685500      -1.137900    
 H    1.818400       3.424700      -1.691500    
 H    3.321700       3.620300     -0.5597000    
 H    3.364100       3.521300      -2.236500    
 H    1.956700     -0.5449000      -2.202800    
 H    3.798300      -3.180000       1.569400    
 H    2.156300      -2.981300      -2.350200    
 H    3.073900      -4.283100     -0.4500000    
 H   -3.523900       1.952300       1.483500    
 H    4.506000     -0.6964000       3.880400    
 H    3.467400      -2.044300       3.436400    
 H    5.143700      -1.878500       2.744700    
 H   -6.186000      -1.876300     -0.2094000    
 H   -5.631300       1.338900       2.581300    
 H   -6.972900     -0.5699000       1.739100    
 H   -2.856600      -3.011900      -2.229100    
 H   -2.241900      -2.272000     -0.7351000    
 H   -3.701700      -3.312900     -0.6949000    


%chk=000018578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018578

0 1
O 4.474069 -0.136753 1.931290
O -2.202417 0.345329 -1.845921
O -4.751397 -1.370497 -1.711235
N 2.712582 1.460042 -1.347604
C 1.195071 1.119744 0.782275
C 2.615752 0.938805 0.063391
C 0.035429 0.681911 -0.166691
C 1.027234 2.582521 1.301638
C 1.182692 0.221151 2.057992
C 3.044454 -0.537242 0.038534
C -1.382515 0.996061 0.355387
C 4.102533 1.337240 -1.861670
C 2.241624 2.843010 -1.579330
C 3.972945 -1.058529 0.986065
C 2.539757 -1.422800 -0.942554
C -2.479272 0.537404 -0.621416
C 4.360697 -2.420842 0.959438
C 2.914629 -2.784870 -0.980417
C -3.880530 0.398549 -0.107669
C 3.823153 -3.283548 -0.022378
C -4.906295 -0.390340 -0.733962
C -4.276630 1.240445 0.980226
C 5.483267 -0.610647 2.878949
C -6.263861 -0.229539 -0.340392
C -5.613911 1.374907 1.382799
C -6.619505 0.647006 0.695745
C -3.504995 -2.136410 -1.865254
H 3.338902 1.484478 0.717632
H 0.156166 1.134279 -1.164861
H 0.114107 -0.410008 -0.327339
H 0.191330 2.637357 2.023659
H 0.828418 3.319876 0.509154
H 1.940363 2.900970 1.838800
H 2.066542 0.423640 2.689268
H 0.280588 0.429936 2.662347
H 1.182307 -0.852600 1.803603
H -1.560940 0.539632 1.347048
H -1.493003 2.091956 0.493333
H 4.448205 0.293684 -1.801757
H 4.124127 1.645170 -2.922347
H 4.829639 1.975668 -1.298805
H 1.153496 2.925098 -1.440304
H 2.741501 3.602778 -0.927427
H 2.456065 3.109414 -2.630169
H 1.880061 -1.004668 -1.710041
H 5.072630 -2.815873 1.690314
H 2.507855 -3.444609 -1.754263
H 4.125075 -4.336980 -0.038137
H -3.511221 1.835200 1.487873
H 5.747279 0.271460 3.481364
H 5.079964 -1.403774 3.538633
H 6.383860 -0.988208 2.356380
H -7.011568 -0.838514 -0.857610
H -5.877336 2.045697 2.206735
H -7.671460 0.747491 0.984617
H -3.819365 -3.089153 -2.319266
H -2.799750 -1.592875 -2.512972
H -3.032897 -2.320829 -0.880898


