%chk=000290522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290522

0 1
O -2.960626 -0.438924 -0.000169
O 0.613561 1.841017 0.000070
O -2.301897 1.755157 -0.000290
N 1.634257 -0.200869 0.000391
N -0.765209 -0.056702 0.000567
N 1.609273 -1.593878 0.000480
N 3.810297 -0.888228 -0.000228
N 3.412111 1.535312 -0.000603
C 3.028491 0.226444 -0.000115
C 0.459829 0.639208 0.000759
C -4.379071 -0.014387 -0.000699
C -2.039572 0.582010 -0.000006
C -5.126130 -1.327277 -0.000658
C 2.901508 -1.973046 0.000345
H -4.543267 0.594240 0.905341
H -4.542692 0.593856 -0.907101
H -0.757620 -1.097014 0.000713
H -6.211783 -1.165025 -0.001029
H -4.876380 -1.935717 -0.882005
H -4.876928 -1.935348 0.881099
H 3.250337 -3.001014 0.000259
H 2.718920 2.279384 0.000018
H 4.393792 1.768101 -0.000640


%chk=000290522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290522

0 1
O -2.878778 -0.470180 0.001746
O 0.672590 2.017799 0.000136
O -2.310137 1.813505 0.000622
N 1.614283 -0.115180 0.001029
N -0.693807 0.060601 0.003050
N 1.456838 -1.536352 0.001292
N 3.713362 -0.939271 -0.001743
N 3.446132 1.484052 -0.001934
C 2.981254 0.206862 -0.000976
C 0.500835 0.772387 0.002067
C -4.328118 -0.101881 -0.000834
C -1.989807 0.611008 0.002976
C -5.110477 -1.410059 -0.001893
C 2.747270 -1.942170 0.000389
H -4.529324 0.513534 0.894412
H -4.526269 0.513145 -0.897029
H -0.597483 -0.965912 0.003830
H -6.194207 -1.193974 -0.003796
H -4.874886 -2.010882 -0.896680
H -4.877957 -2.010498 0.893955
H 3.002489 -2.999115 0.000278
H 2.775611 2.256599 -0.000954
H 4.451789 1.633282 -0.003443


