%chk=000181094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181094

0 1
O 1.002282 1.342143 1.130609
O 0.933687 -1.349458 -1.042445
O -1.906267 0.101545 0.235072
O 3.719329 -0.799920 0.686926
O -2.910324 0.867217 -1.614077
O -4.062693 0.045336 0.066251
N -3.079227 0.369280 -0.531738
C 0.314423 -0.731691 0.092778
C 1.408279 -0.020955 0.920676
C -0.625217 0.405224 -0.387502
C 2.683610 -0.059305 0.036016
C -0.073905 1.699829 0.221531
C 2.304079 -0.885186 -1.201902
H -0.234564 -1.547221 0.606164
H 1.576535 -0.428896 1.935912
H -0.721930 0.427705 -1.496079
H 3.044605 0.963153 -0.199684
H 0.357229 2.382795 -0.528596
H -0.804262 2.230551 0.858740
H 2.329611 -0.311606 -2.140405
H 2.905509 -1.811685 -1.286774
H 4.133212 -0.262554 1.395525


%chk=000181094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181094

0 1
O 0.904121 1.522920 0.545775
O 1.275848 -1.037083 -1.334033
O -1.742555 -0.068401 0.526722
O 3.330046 -1.328955 0.944862
O -3.215191 1.060544 -0.975307
O -3.957823 0.333540 1.071185
N -3.109772 0.505986 0.162702
C 0.457032 -0.772295 -0.131797
C 1.310374 0.118243 0.803864
C -0.729086 0.131074 -0.549998
C 2.769355 -0.115907 0.334573
C -0.119411 1.540192 -0.526844
C 2.609301 -0.397374 -1.163635
H 0.135814 -1.730306 0.304893
H 1.162914 -0.082630 1.878656
H -1.153742 -0.162232 -1.522490
H 3.392863 0.775159 0.539343
H 0.352373 1.752086 -1.506871
H -0.843393 2.334306 -0.287721
H 2.648453 0.541140 -1.749316
H 3.368185 -1.108464 -1.525378
H 3.448298 -1.185242 1.917813


