%chk=000243258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243258

0 1
O 5.257393 2.360602 -0.066861
O -2.529461 -3.491426 0.219687
N -0.369268 -2.998054 0.719862
C 1.215645 -1.564612 -0.593496
C 0.753083 -2.036852 0.800281
C 2.319553 -0.555393 -0.461422
C 2.013651 0.818089 -0.385050
C 3.655725 -0.968040 -0.403983
C 0.001131 -4.427517 0.589562
C -1.694265 -2.623571 0.451171
C 3.022737 1.762895 -0.253902
C 4.691850 -0.036673 -0.272143
C 4.362084 1.320723 -0.198476
C -2.030358 -1.175467 0.516333
C -3.174730 -0.728769 -0.018176
C -3.592212 0.682441 -0.000174
C -3.416958 1.477555 1.144085
C -4.187843 1.237267 -1.146655
C -3.827871 2.813308 1.137992
C -4.588494 2.574830 -1.148710
C -4.410122 3.364543 -0.007363
C 6.666720 2.035847 -0.008976
H 1.544257 -2.432023 -1.200649
H 0.357625 -1.137922 -1.153820
H 1.601390 -2.510329 1.343411
H 0.442659 -1.159993 1.415327
H 0.974166 1.144141 -0.432029
H 3.901033 -2.028172 -0.463484
H -0.911892 -5.046074 0.462471
H 0.514947 -4.768442 1.502309
H 0.651415 -4.603065 -0.280909
H 2.807989 2.827538 -0.195472
H 5.720955 -0.375458 -0.231168
H -1.320670 -0.518417 1.019045
H -3.868103 -1.423510 -0.515574
H -2.971471 1.049122 2.040923
H -4.332518 0.625061 -2.035905
H -3.694152 3.425206 2.028933
H -5.043934 3.003237 -2.040465
H -4.727021 4.405986 -0.010860
H 6.983910 1.550315 -0.936192
H 6.879580 1.419969 0.869250
H 7.121645 3.030404 0.088969


%chk=000243258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243258

0 1
O 5.716012 2.230915 0.277887
O -2.577177 -3.436107 0.039404
N -0.348879 -2.887142 0.459751
C 1.335092 -1.393958 -0.714398
C 0.756950 -1.924650 0.634495
C 2.514276 -0.461316 -0.492399
C 2.326197 0.943748 -0.383362
C 3.827804 -0.965635 -0.336115
C 0.022951 -4.312420 0.405468
C -1.688098 -2.539083 0.239146
C 3.404258 1.810390 -0.127500
C 4.926487 -0.113740 -0.078915
C 4.710773 1.282625 0.027938
C -2.038056 -1.087005 0.250718
C -3.330308 -0.702160 0.025146
C -3.864462 0.667869 -0.002809
C -3.075124 1.825766 0.262892
C -5.243550 0.852549 -0.309702
C -3.644286 3.112944 0.217866
C -5.814886 2.141418 -0.355641
C -5.017092 3.278606 -0.092613
C 7.085437 1.737824 0.439153
H 1.635448 -2.264508 -1.328261
H 0.526533 -0.876629 -1.263862
H 1.564462 -2.437430 1.189657
H 0.442323 -1.075764 1.266509
H 1.321472 1.365278 -0.514969
H 4.003735 -2.045289 -0.426337
H -0.884285 -4.893043 0.179393
H 0.437217 -4.645141 1.376410
H 0.778749 -4.493779 -0.383162
H 3.264403 2.893001 -0.050688
H 5.928010 -0.541110 0.028280
H -1.257323 -0.343176 0.437416
H -4.043572 -1.518606 -0.160744
H -2.013316 1.718118 0.512310
H -5.864112 -0.028391 -0.514429
H -3.023061 3.991238 0.426611
H -6.877442 2.259619 -0.594733
H -5.456643 4.281595 -0.126243
H 7.441398 1.227808 -0.477361
H 7.167587 1.048679 1.302473
H 7.693899 2.635391 0.623017


