%chk=000118279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118279

0 1
 O   0.8237000      -5.013400     -4.1400000E-02
 O    2.273100      -2.640900      6.0000003E-04
 O    5.097800       2.860600       1.377500    
 N   -1.152600      -1.897700     -0.4135000    
 N   -3.294800     -2.6699999E-02 -0.1078000    
 C   -2.380300      9.8499998E-02  -1.260000    
 C   -1.768700      -1.274900      -1.592100    
 C   -2.170800      -2.102200      0.6229000    
 C   -2.801900     -0.7763000       1.053700    
 C  -0.5242000      -3.168500     -0.7732000    
 C   -1.300200       1.148300     -0.9712000    
 C   0.2115000      -3.801900      0.4099000    
 C   -4.319300      0.9113000      5.7799999E-02
 C    1.293800      -2.901300       1.001300    
 C   -4.475900       1.616500       1.271200    
 C   -5.233400       1.187400     -0.9824000    
 C   -5.497000       2.552400       1.436300    
 C   -6.254400       2.123400     -0.8175000    
 C   -6.386100       2.805900      0.3920000    
 C    2.916700      -1.434200      6.8700001E-02
 C    3.373800     -0.8300000      -1.097400    
 C    3.109000     -0.8248000       1.303900    
 C    4.227200       1.015200      0.2079000    
 C    4.031100      0.3984000      -1.027700    
 C    3.766200      0.4035000       1.373700    
 C    4.913300       2.295700      0.2800000    
 C    5.421800       2.968300      -1.007500    
 C    6.100600       4.307500     -0.7660000    
 H   -2.927000      0.4220000      -2.153800    
 H   -2.552400      -1.927500      -2.001400    
 H   -1.018300      -1.142900      -2.381800    
 H   -2.956000      -2.783100      0.2670000    
 H   -1.749400      -2.536900       1.533700    
 H   -3.625100      -1.007400       1.741700    
 H   -2.068100     -0.1737000       1.603700    
 H   -1.261000      -3.883700      -1.164800    
 H   0.1922000      -3.014400      -1.591300    
 H  -0.6256000       1.251500      -1.827800    
 H  -0.6941000      0.8898000     -9.6699998E-02
 H   -1.749500       2.129000     -0.7812000    
 H  -0.4869000      -4.105000       1.195200    
 H   0.8257000      -1.987200       1.385800    
 H    1.791100      -3.422600       1.828000    
 H   -3.793300       1.456200       2.102300    
 H   -5.166300      0.6573000      -1.929800    
 H    1.271300      -5.418500      0.7210000    
 H   -5.597900       3.086300       2.376700    
 H   -6.949400       2.318100      -1.629000    
 H   -7.181200       3.534500      0.5206000    
 H    3.222100      -1.307400      -2.061400    
 H    2.794900      -1.281700       2.237400    
 H    4.372600      0.8360000      -1.960300    
 H    3.913200      0.8607000       2.348800    
 H    4.568900       3.130700      -1.675400    
 H    6.141000       2.297100      -1.489400    
 H    6.970000       4.193600     -0.1103000    
 H    6.439200       4.739900      -1.712500    
 H    5.413000       5.015500     -0.2916000    


%chk=000118279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118279

0 1
O 1.157499 -4.609343 0.354447
O 2.128030 -2.005028 -0.084640
O 5.872524 3.179328 0.845223
N -1.544964 -2.003771 -0.177790
N -3.868838 -0.283344 -0.058772
C -2.631322 0.163759 -0.764686
C -1.844249 -1.062005 -1.279830
C -2.819522 -2.507393 0.380822
C -3.672156 -1.354322 0.939111
C -0.585385 -3.076082 -0.530310
C -1.760501 1.093066 0.119230
C 0.342401 -3.425587 0.661326
C -4.936889 0.633170 0.119654
C 1.225685 -2.241645 1.068327
C -5.859156 0.512315 1.207093
C -5.156525 1.705595 -0.802360
C -6.951713 1.395241 1.338888
C -6.248173 2.583124 -0.655699
C -7.164383 2.439316 0.412076
C 3.007601 -0.920493 -0.036919
C 3.810126 -0.730842 -1.191332
C 3.122928 -0.035794 1.067568
C 4.845430 1.243072 -0.148686
C 4.716647 0.340175 -1.242666
C 4.036982 1.030598 0.999899
C 5.792183 2.406582 -0.156827
C 6.657769 2.642675 -1.401953
C 7.559949 3.882680 -1.286301
H -2.938926 0.721357 -1.666410
H -2.443443 -1.556418 -2.085872
H -0.894482 -0.710816 -1.721323
H -3.407746 -3.049477 -0.402988
H -2.611378 -3.221046 1.198961
H -4.656396 -1.774160 1.209949
H -3.202717 -0.965279 1.871306
H -1.090307 -4.013082 -0.856792
H 0.046849 -2.732659 -1.370154
H -0.919790 1.511348 -0.464737
H -1.339030 0.533303 0.972059
H -2.363072 1.933451 0.506293
H -0.264884 -3.722966 1.535011
H 0.595153 -1.350749 1.248075
H 1.831945 -2.489432 1.960069
H -5.724575 -0.257767 1.971386
H -4.485909 1.855440 -1.653249
H 1.869384 -4.321880 -0.274941
H -7.635367 1.267786 2.186702
H -6.383566 3.387015 -1.388967
H -8.011356 3.124181 0.521580
H 3.703529 -1.428797 -2.027394
H 2.513471 -0.172856 1.964917
H 5.325959 0.471911 -2.142414
H 4.146106 1.728740 1.836766
H 5.989802 2.730603 -2.283580
H 7.269437 1.734079 -1.580495
H 8.241317 3.795014 -0.423123
H 8.163611 4.010367 -2.202691
H 6.958100 4.794042 -1.129739


