%chk=000001278.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001278

1 1
 O   0.9725000      -4.069300      0.3491000    
 N  -0.4155000      -2.307100     -0.2682000    
 N    2.741800      -1.787200      -1.064900    
 N    4.408500       3.513100       1.589200    
 N    4.356000       3.929600     -0.7187000    
 C   -3.031600      -1.111000      0.1703000    
 C   -2.722100      -2.556100      0.5836000    
 C   -1.746400     -0.2730000      0.1960000    
 C   -1.615600      -3.147600     -0.2845000    
 C  -0.6430000     -0.9061000     -0.6525000    
 C   -4.096700     -0.5018000       1.078900    
 C   0.8095000      -2.882000      6.2100001E-02
 C   -4.779900      0.6682000      0.4253000    
 C    2.001400      -2.010400      6.4800002E-02
 C    3.668000     -0.6206000      0.8106000    
 C    2.408900      -1.340900       1.147400    
 C    3.631900     -0.9244000     -0.6791000    
 C   -4.263800       1.945900      0.5971000    
 C   -5.917800      0.4558000     -0.3418000    
 C    3.701400      0.8612000      0.9883000    
 C    4.550800     -0.1847000      -1.560800    
 C    4.279800       1.661900      6.6100001E-02
 C   -4.897000       3.030800     -8.9999996E-03
 C   -6.550900       1.540900     -0.9479000    
 C    4.837700       1.059400      -1.148600    
 C   -6.040500       2.828300     -0.7815000    
 C    4.352700       3.127100      0.3287000    
 H   -3.403900      -1.139000     -0.8638000    
 H   -3.622000      -3.176300      0.4972000    
 H   -2.410500      -2.580700       1.635800    
 H   -1.388200     -0.1729000       1.228800    
 H   -1.925900      0.7365000     -0.1859000    
 H   -1.386800      -4.162400      5.6100000E-02
 H   -1.945800      -3.222000      -1.327600    
 H  -0.9315000     -0.9072000      -1.710500    
 H   0.2694000     -0.3118000     -0.5678000    
 H   -3.671200     -0.2018000       2.045500    
 H   -4.860500      -1.252800       1.322300    
 H    4.528200      -1.100500       1.288500    
 H    1.950600      -1.374700       2.124700    
 H   -3.380200       2.119200       1.204900    
 H   -6.322400     -0.5428000     -0.4801000    
 H    3.271900       1.253200       1.904800    
 H    4.898100     -0.6094000      -2.491500    
 H   -4.501000       4.033600      0.1225000    
 H   -7.441000       1.383400      -1.550000    
 H    5.494900       1.675300      -1.755100    
 H   -6.533800       3.673200      -1.253200    
 H    4.452600       4.502100       1.811000    
 H    4.439600       2.864500       2.366800    
 H    4.289400       3.579300      -1.667600    
 H    4.409500       4.934000     -0.5890000    


%chk=000001278-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001278

1 1
O 0.907919 -3.107066 1.495529
N -0.644779 -2.140201 0.045208
N 1.751191 -0.360209 -0.855297
N 7.123468 2.389302 1.380863
N 6.012307 4.100385 0.226018
C -3.479331 -1.369591 0.301484
C -2.854371 -2.510072 1.143770
C -2.379267 -0.358053 -0.104907
C -1.656301 -3.164840 0.420993
C -1.193477 -1.055908 -0.810657
C -4.658070 -0.688890 1.056302
C 0.598333 -2.208313 0.635212
C -5.403253 0.338814 0.214773
C 1.696301 -1.231154 0.290146
C 3.808377 -0.256431 0.329783
C 2.851400 -1.161131 1.057767
C 2.932563 0.258395 -0.815490
C -5.256987 1.729923 0.449223
C -6.250954 -0.080082 -0.844914
C 4.743029 0.763917 0.887294
C 3.412320 1.319684 -1.657586
C 5.130470 1.822095 0.070163
C -5.933421 2.678453 -0.352734
C -6.928028 0.862362 -1.649831
C 4.507029 2.059947 -1.238811
C -6.769881 2.247458 -1.407530
C 6.117209 2.797909 0.573760
H -3.887412 -1.817471 -0.631472
H -3.611213 -3.290374 1.353831
H -2.515651 -2.113903 2.121771
H -2.010119 0.168415 0.799389
H -2.797180 0.408955 -0.783151
H -1.161211 -3.913526 1.058011
H -1.999426 -3.657184 -0.511321
H -1.551348 -1.520445 -1.752323
H -0.395891 -0.347539 -1.070092
H -4.262924 -0.212677 1.975580
H -5.357800 -1.483551 1.384691
H 4.480669 -1.014866 -0.170982
H 3.052247 -1.778611 1.932592
H -4.617706 2.071636 1.273261
H -6.392212 -1.152496 -1.031758
H 5.091034 0.671917 1.923573
H 2.875433 1.564284 -2.578796
H -5.814913 3.749082 -0.150584
H -7.584447 0.519853 -2.457697
H 4.912762 2.840957 -1.892016
H -7.299879 2.979543 -2.026710
H 7.752824 3.037471 1.858746
H 7.290923 1.391219 1.510026
H 5.180266 4.422739 -0.270124
H 6.718979 4.799872 0.461824


