%chk=000181808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181808

0 1
O 3.499614 0.680812 0.081805
N 0.602572 -1.360426 -0.486941
N -2.937911 -1.404633 -0.437670
N -1.760578 -2.078762 -0.620696
N -3.847108 0.822765 0.043323
C -1.359983 0.150742 -0.070240
C -0.483338 1.246186 0.184231
C -0.770752 -1.150851 -0.411423
C 1.366102 -0.298112 -0.233655
C 0.867441 1.011590 0.102817
C -2.756163 -0.063261 -0.095216
C -1.033818 2.590854 0.521396
C 2.854422 -0.549165 -0.331886
C 4.935986 0.593904 0.053987
H 1.605186 1.795008 0.286014
H -0.241514 3.343654 0.654401
H -1.688887 2.965444 -0.278945
H -1.604640 2.567714 1.459378
H 3.168365 -1.372481 0.338975
H 3.148413 -0.784572 -1.373485
H -3.813148 -1.893812 -0.566652
H -3.561815 1.765058 0.297895
H -4.575965 0.496317 0.671328
H 5.238815 1.594441 0.387747
H 5.293016 0.400825 -0.961887
H 5.291087 -0.170038 0.751999


%chk=000181808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181808

0 1
O 3.587271 0.737456 0.020060
N 0.600185 -1.328948 -0.454152
N -2.902940 -1.405975 -0.418578
N -1.694828 -2.107325 -0.616283
N -3.846692 0.768557 0.150221
C -1.365798 0.160831 -0.042139
C -0.524873 1.284833 0.233007
C -0.759818 -1.125660 -0.380508
C 1.364208 -0.249228 -0.189548
C 0.855186 1.053616 0.152400
C -2.768609 -0.074832 -0.080534
C -1.089609 2.645823 0.590427
C 2.861057 -0.498433 -0.274959
C 5.032363 0.546270 -0.046415
H 1.579789 1.847826 0.345031
H -0.281932 3.374084 0.771056
H -1.722332 3.048066 -0.225817
H -1.705844 2.598700 1.510344
H 3.139388 -1.297677 0.446887
H 3.112222 -0.866860 -1.293829
H -3.766299 -1.930860 -0.540680
H -3.679169 1.738755 0.392868
H -4.806964 0.442216 0.096728
H 5.486182 1.522273 0.187190
H 5.354845 0.223058 -1.059523
H 5.378410 -0.207365 0.693345


