%chk=000118168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118168

0 1
O 3.156134 -1.223358 0.877159
O 0.176832 2.315093 0.314632
O 2.995788 1.567922 -0.247858
N -1.302229 -0.238627 1.034066
C -0.017789 -0.106636 0.513233
C 0.866548 -1.326401 0.307543
C 2.248478 -0.783637 -0.134798
C -2.057282 -1.497185 0.752169
C -2.203639 0.953888 0.994717
C -2.774041 -1.442637 -0.608180
C -2.931707 1.074574 -0.353393
C -3.691342 -0.214177 -0.694092
C 0.700400 1.041072 0.266862
C 2.102432 0.774581 -0.066373
C 2.708669 -1.235275 -1.508231
H 0.987969 -1.893737 1.258125
H 0.445911 -2.029363 -0.430894
H -2.800670 -1.617725 1.574212
H -1.387273 -2.377906 0.814452
H -1.614314 1.878551 1.207240
H -2.930432 0.842479 1.828905
H -3.359836 -2.367825 -0.760913
H -2.029277 -1.411020 -1.426796
H -2.194054 1.307414 -1.148433
H -3.625862 1.934764 -0.326836
H -4.123691 -0.138505 -1.709817
H -4.549745 -0.337496 -0.005770
H 1.956153 -1.041198 -2.281526
H 3.625312 -0.710825 -1.815022
H 2.932089 -2.310150 -1.514087
H 4.039670 -0.806611 0.753815
H 0.931896 2.967856 0.305288


%chk=000118168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118168

0 1
O 3.204515 -1.363262 1.048703
O 0.498430 2.395378 0.454744
O 3.243276 1.542171 0.136144
N -1.291266 -0.168491 0.463708
C 0.066802 -0.083626 0.304197
C 0.937715 -1.330548 0.122304
C 2.388535 -0.811791 -0.060271
C -2.021886 -1.456651 0.512821
C -2.166287 1.020745 0.643196
C -3.147325 -1.498391 -0.549455
C -3.292329 1.035106 -0.416167
C -4.095102 -0.286332 -0.392832
C 0.881352 1.053344 0.289002
C 2.263642 0.712144 0.116689
C 3.028139 -1.179911 -1.410962
H 0.912545 -1.977762 1.018148
H 0.611218 -1.932865 -0.746093
H -2.471733 -1.566365 1.523510
H -1.319681 -2.291586 0.370481
H -1.551877 1.930659 0.589631
H -2.617451 0.967264 1.657638
H -3.705958 -2.448203 -0.444946
H -2.692408 -1.489626 -1.559264
H -2.844160 1.186681 -1.417335
H -3.956600 1.897765 -0.219046
H -4.859503 -0.290729 -1.191782
H -4.637137 -0.368633 0.572173
H 2.392665 -0.858971 -2.256846
H 4.007236 -0.677796 -1.511016
H 3.179161 -2.272342 -1.469746
H 3.991753 -0.764520 1.149933
H 1.344818 2.925044 0.442139


