%chk=000118176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118176

0 1
 O   0.5980000      -4.716600      0.2688000    
 O    2.352400      -2.530400      0.2984000    
 O    6.351600       2.327900       1.035600    
 N   -1.837300      -2.022300     -0.4805000    
 N   -3.797600      8.5000005E-03 -4.2500000E-02
 C   -2.055800      -1.478100      0.8652000    
 C   -3.103400      -2.040300      -1.223500    
 C   -2.598600     -4.8300002E-02  0.7992000    
 C   -3.680000     -0.6292000      -1.359800    
 C   -1.268500      -3.367400     -0.4039000    
 C   0.1044000      -3.374000      0.2726000    
 C   -4.690900       1.077200      9.3300000E-02
 C    1.126200      -2.478300     -0.4242000    
 C   -4.242500       2.350900      0.4961000    
 C   -6.065500      0.9120000     -0.1696000    
 C   -5.132500       3.416500      0.6307000    
 C   -6.955500       1.977700     -3.5100002E-02
 C   -6.489000       3.229800      0.3651000    
 C    3.145200      -1.415300      0.2464000    
 C    3.119400     -0.6032000     -0.8823000    
 C    3.970600      -1.106000       1.322100    
 C    4.758600      0.8479000      0.1394000    
 C    3.928500      0.5318000     -0.9360000    
 C    4.779700      2.8999999E-02   1.268500    
 C    5.602600       2.031100      8.2400002E-02
 C    5.578300       2.932800      -1.164600    
 C    6.501800       4.136500      -1.062000    
 H   -2.752300      -2.110500       1.432300    
 H   -1.126400      -1.416500       1.438600    
 H   -2.941900      -2.441800      -2.231300    
 H   -3.836300      -2.689900     -0.7261000    
 H   -2.828200      0.2766000       1.821700    
 H   -1.827800      0.6208000      0.3954000    
 H   -3.032200     -1.6700000E-02  -2.000200    
 H   -4.651700     -0.7050000      -1.861300    
 H   -1.938400      -4.060600      0.1233000    
 H   -1.152700      -3.780800      -1.415100    
 H   3.3799998E-02  -3.109400       1.332300    
 H    1.312300      -2.842700      -1.441500    
 H   0.7323000      -1.455900     -0.4603000    
 H   -3.190900       2.537800      0.6993000    
 H   -6.454500     -5.8200002E-02 -0.4705000    
 H    1.477000      -4.705500      0.6852000    
 H   -4.769300       4.392300      0.9395000    
 H   -8.012200       1.832000     -0.2392000    
 H   -7.182000       4.059400      0.4699000    
 H    2.510900     -0.8298000      -1.752500    
 H    3.989900      -1.741300       2.203000    
 H    3.884700       1.135100      -1.837100    
 H    5.417700      0.2534000       2.119200    
 H    4.555200       3.295800      -1.311500    
 H    5.882400       2.335600      -2.031100    
 H    7.541800       3.822100     -0.9256000    
 H    6.443000       4.741400      -1.972000    
 H    6.228200       4.769000     -0.2111000    


%chk=000118176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118176

0 1
O 0.792851 -4.282740 0.389410
O 2.239637 -1.862120 0.727832
O 7.593369 1.674753 0.447738
N -2.007997 -1.871069 -0.193588
N -4.321131 -0.127147 0.014010
C -2.678363 -1.635642 1.110002
C -3.022546 -1.819281 -1.276296
C -3.373015 -0.262757 1.135728
C -3.707024 -0.443503 -1.296687
C -1.208396 -3.120179 -0.220199
C 0.134790 -2.975977 0.518265
C -5.345252 0.855156 0.088029
C 1.000774 -1.867822 -0.083601
C -5.440064 1.757509 1.191233
C -6.346357 0.946437 -0.927951
C -6.494634 2.691897 1.275336
C -7.387441 1.890372 -0.837660
C -7.477900 2.772982 0.265216
C 3.246912 -0.948904 0.402425
C 3.162390 -0.017007 -0.663329
C 4.405629 -0.995441 1.222121
C 5.406417 0.829949 -0.091013
C 4.239972 0.860955 -0.899108
C 5.467034 -0.116001 0.973997
C 6.574935 1.745058 -0.304490
C 6.514745 2.766651 -1.448331
C 7.775669 3.641821 -1.544762
H -3.437445 -2.431951 1.316104
H -1.929792 -1.663931 1.921836
H -2.517895 -1.984452 -2.246032
H -3.800200 -2.613493 -1.147381
H -3.925921 -0.179815 2.087308
H -2.597929 0.539527 1.113786
H -2.946904 0.327933 -1.561101
H -4.476267 -0.440310 -2.084016
H -1.749490 -3.990608 0.221227
H -0.988916 -3.377758 -1.273303
H -0.025913 -2.741787 1.592433
H 1.250461 -2.100322 -1.138163
H 0.484580 -0.892405 -0.018729
H -4.681093 1.753581 1.978467
H -6.332814 0.258154 -1.779038
H 1.703338 -4.199000 0.774451
H -6.536002 3.370789 2.135335
H -8.142629 1.927090 -1.631640
H -8.291491 3.502481 0.332239
H 2.275515 0.031239 -1.301356
H 4.443481 -1.722122 2.039341
H 4.159690 1.574749 -1.725601
H 6.370023 -0.133030 1.593109
H 5.614124 3.399066 -1.307134
H 6.349687 2.219171 -2.399307
H 8.674195 3.021031 -1.700849
H 7.689369 4.357295 -2.382152
H 7.933830 4.207828 -0.611062


