%chk=000227984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227984

0 1
O 1.340079 -1.707059 -2.302147
O -1.223852 0.160852 2.194540
N 3.365376 0.719347 -0.384325
N -3.568098 0.287461 0.629808
C 4.722597 0.795655 -1.022941
C 3.522558 1.419131 0.933997
C -5.047144 0.128185 0.841395
C -3.420113 1.503736 -0.240209
C 5.780053 0.910498 0.098276
C 5.003404 1.317546 1.364130
C -5.776509 0.795321 -0.344753
C -4.728757 1.685344 -1.038387
C 2.902458 -0.699752 -0.234658
C -2.957306 -0.936626 0.009321
C 1.397059 -0.725970 -0.144206
C -1.455807 -0.820036 -0.043470
C 0.622062 -1.232681 -1.218353
C -0.693269 -0.315096 1.025508
C 0.717031 -0.273775 0.979318
C -0.771094 -1.278860 -1.181908
H 4.718022 1.710320 -1.654271
H 4.915559 -0.056859 -1.697561
H 3.233028 2.478175 0.763210
H 2.832125 1.020307 1.702267
H -5.340335 -0.928458 0.971283
H -5.287277 0.649666 1.793156
H -3.248634 2.364241 0.441281
H -2.532640 1.434151 -0.897500
H 6.305475 -0.046560 0.247572
H 6.551319 1.653448 -0.158793
H 5.364498 2.276113 1.768927
H 5.133849 0.571993 2.165047
H -6.176452 0.040246 -1.041309
H -6.639966 1.385516 0.002663
H -4.594477 1.390066 -2.092174
H -5.041168 2.742152 -1.050328
H 3.343406 -1.219326 0.644109
H 3.224534 -1.279956 -1.134421
H -3.369161 -1.151578 -1.001495
H -3.219998 -1.812512 0.650031
H 1.257369 0.136534 1.835533
H -1.327894 -1.670791 -2.028220
H 0.744080 -1.978817 -3.037754
H -2.228289 0.286808 2.124713


%chk=000227984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227984

0 1
O 1.508176 -1.472965 -2.478914
O -1.402878 -0.136209 2.159425
N 3.534077 0.468012 -0.692769
N -3.506251 0.233460 0.709210
C 5.006726 0.399364 -0.913042
C 3.386788 1.645455 0.208770
C -4.964602 0.052274 0.997563
C -3.436153 1.608450 0.105987
C 5.682951 0.750229 0.460417
C 4.604548 1.607826 1.204112
C -5.727343 0.707967 -0.195919
C -4.723852 1.767516 -0.765062
C 2.969388 -0.800708 -0.129660
C -2.932479 -0.831965 -0.195143
C 1.450859 -0.807804 -0.152701
C -1.412367 -0.766446 -0.211933
C 0.741534 -1.112046 -1.347018
C -0.710965 -0.463058 0.994035
C 0.703837 -0.495934 1.003835
C -0.670405 -1.084004 -1.373029
H 5.281607 1.162692 -1.666989
H 5.297577 -0.588304 -1.309252
H 3.438803 2.563098 -0.408495
H 2.405782 1.633512 0.710232
H -5.199830 -1.015339 1.142671
H -5.194967 0.584773 1.938893
H -3.430450 2.342742 0.932060
H -2.497188 1.723717 -0.459584
H 5.913700 -0.169163 1.028229
H 6.630792 1.299529 0.319628
H 4.967416 2.626160 1.430143
H 4.319859 1.139653 2.163438
H -5.978967 -0.045687 -0.962672
H -6.673650 1.167308 0.137517
H -4.508478 1.573575 -1.830357
H -5.122757 2.793969 -0.693915
H 3.311994 -0.995722 0.916284
H 3.344796 -1.620269 -0.767072
H -3.340136 -0.766133 -1.226825
H -3.260213 -1.800812 0.232645
H 1.217357 -0.274004 1.945819
H -1.206867 -1.328210 -2.301816
H 0.920095 -1.613937 -3.261112
H -2.390166 0.065540 1.839271


