%chk=000299331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299331

0 1
O -3.080917 -1.602035 -0.839927
O -3.963050 0.948758 0.016756
O -1.770018 3.120696 2.493809
O -3.586110 2.887729 1.347487
N 2.086961 -2.621554 0.479478
N -2.507299 2.489387 1.746901
C 0.989172 -1.064330 1.963967
C -0.316291 -0.541375 1.431561
C 1.971282 -1.343421 0.850200
C 2.737163 -0.281695 0.237116
C 3.656390 -0.641017 -0.784768
C -0.803018 0.694147 1.814723
C -1.064250 -1.348051 0.534269
C -2.042114 1.163705 1.311327
C -2.272900 -0.901861 0.036958
C -2.798654 0.383787 0.419649
C 2.610593 1.093318 0.601393
C 3.771444 -2.017001 -1.157200
C 4.438918 0.376935 -1.415867
C 2.987702 -2.951881 -0.521836
C 3.370365 2.053073 -0.020890
C 4.297324 1.689536 -1.040486
C -2.606699 -2.897815 -1.288275
C -4.812539 0.224312 -0.918161
H 1.442027 -0.368840 2.702342
H 0.796012 -2.002997 2.541155
H -0.257084 1.338900 2.512328
H -0.654735 -2.321543 0.251907
H 1.895488 1.371942 1.376314
H 4.475267 -2.302509 -1.935215
H 5.142738 0.088146 -2.194910
H 3.028217 -4.019290 -0.763060
H 3.275005 3.103738 0.251850
H 4.887882 2.473719 -1.514891
H -2.516338 -3.584094 -0.440855
H -1.662533 -2.791847 -1.831209
H -3.417215 -3.205966 -1.961338
H -5.144232 -0.718655 -0.471742
H -4.280176 0.058334 -1.859981
H -5.642477 0.933514 -1.037376


%chk=000299331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299331

0 1
O -3.097183 -1.733556 -0.741543
O -4.178296 0.705144 0.179493
O -1.843108 3.222420 2.346833
O -3.984389 2.441440 2.246326
N 2.139822 -2.635665 0.585729
N -2.718701 2.304505 2.062377
C 1.037150 -1.014076 2.028663
C -0.333081 -0.553056 1.531202
C 2.011955 -1.325097 0.898147
C 2.732952 -0.282785 0.196599
C 3.641082 -0.680068 -0.860664
C -0.914079 0.638072 1.989866
C -1.051946 -1.352180 0.604235
C -2.193319 1.030675 1.527967
C -2.324170 -0.965706 0.140983
C -2.929155 0.262064 0.582450
C 2.588914 1.112707 0.493216
C 3.762591 -2.076891 -1.158044
C 4.377305 0.323433 -1.570920
C 3.005913 -2.995245 -0.433253
C 3.315824 2.070913 -0.217938
C 4.218100 1.674176 -1.255220
C -2.547632 -3.021462 -1.181645
C -4.567650 0.626735 -1.249413
H 1.457355 -0.254738 2.712143
H 0.924044 -1.950484 2.603898
H -0.402125 1.287974 2.705101
H -0.595740 -2.288096 0.266329
H 1.895360 1.434294 1.275529
H 4.441653 -2.414540 -1.948455
H 5.065339 0.014283 -2.366525
H 3.067855 -4.069902 -0.634866
H 3.194676 3.133988 0.015732
H 4.781850 2.438092 -1.801791
H -2.373186 -3.693996 -0.320758
H -1.605559 -2.883809 -1.745678
H -3.318454 -3.448932 -1.839022
H -4.804502 -0.408725 -1.534407
H -3.760360 1.021640 -1.893303
H -5.455807 1.272355 -1.315870


