%chk=000243939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243939

0 1
O -1.953537 1.126907 0.343092
O 1.677092 -0.283580 -2.583521
N -0.705641 -0.703292 -0.216507
N 0.811472 1.357997 -1.255077
C 0.443068 -0.315581 0.640841
C 1.379213 0.774206 -0.016756
C 1.239371 -1.567029 0.957104
C 1.644034 1.897894 0.967544
C 1.926796 -2.253846 -0.055439
C 1.277293 -2.045802 2.273843
C 2.964098 2.189017 1.338566
C 0.587603 2.651987 1.500418
C -1.846788 0.088916 -0.294888
C 0.990941 0.724098 -2.485262
C 2.643346 -3.412695 0.250225
C 1.999437 -3.204663 2.574999
C 3.224222 3.227091 2.238359
C 0.853184 3.690093 2.395942
C -2.916239 -0.450627 -1.198451
C 2.680824 -3.890285 1.564860
C 2.170851 3.979516 2.766662
C 0.288398 1.367774 -3.647589
C -4.070854 -1.003462 -0.631159
C -2.775206 -0.369760 -2.588810
C -5.084092 -1.488057 -1.463965
C -3.792206 -0.854116 -3.415724
C -4.944480 -1.415084 -2.853767
H 0.013448 0.121727 1.588697
H 2.351900 0.275473 -0.302639
H -0.581799 -1.520551 -0.812614
H 0.150071 2.123730 -1.134242
H 1.914730 -1.872848 -1.085720
H 0.747326 -1.518356 3.065923
H 3.790485 1.609784 0.928347
H -0.449132 2.420400 1.222713
H 3.176268 -3.942527 -0.538311
H 2.029566 -3.572843 3.599105
H 4.250344 3.449436 2.526150
H 0.030228 4.273205 2.806940
H 3.241104 -4.793046 1.800867
H 2.375335 4.788217 3.465585
H 0.720423 1.006169 -4.595059
H -0.783719 1.101287 -3.656476
H 0.365439 2.462243 -3.655553
H -4.179763 -1.048716 0.453194
H -1.877941 0.077501 -3.028732
H -5.984144 -1.919980 -1.027897
H -3.687878 -0.795046 -4.498149
H -5.735588 -1.793575 -3.500467


%chk=000243939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243939

0 1
O -2.094337 0.892105 0.476480
O 1.137538 -0.249130 -2.672187
N -0.687267 -0.808076 -0.244524
N 0.592488 1.447539 -1.182860
C 0.420195 -0.374255 0.617433
C 1.282182 0.809093 -0.048848
C 1.310065 -1.559944 0.973652
C 1.663364 1.858575 0.989391
C 2.020418 -2.252201 -0.044733
C 1.430535 -1.991717 2.316085
C 3.023371 2.141486 1.261305
C 0.652548 2.574483 1.686721
C -1.873959 -0.107298 -0.292246
C 0.571086 0.871152 -2.435558
C 2.824905 -3.365381 0.282555
C 2.243534 -3.100825 2.643600
C 3.376083 3.128438 2.209854
C 1.006062 3.566786 2.626973
C -2.903301 -0.590470 -1.280987
C 2.939876 -3.793106 1.626606
C 2.367692 3.847141 2.891907
C -0.166427 1.648663 -3.518426
C -4.259604 -0.259418 -1.032846
C -2.566564 -1.319840 -2.453067
C -5.270039 -0.675045 -1.924218
C -3.579923 -1.729693 -3.347497
C -4.933365 -1.415894 -3.082382
H -0.046538 0.035545 1.530022
H 2.192624 0.346314 -0.468209
H -0.525385 -1.602285 -0.865168
H 0.061230 2.301424 -1.002458
H 1.947732 -1.907853 -1.085874
H 0.886986 -1.458508 3.105340
H 3.806471 1.587279 0.729959
H -0.405010 2.341383 1.499435
H 3.366377 -3.895997 -0.508820
H 2.330902 -3.424444 3.686828
H 4.432349 3.336505 2.414101
H 0.220641 4.116307 3.158063
H 3.567728 -4.655226 1.878651
H 2.639487 4.614804 3.625207
H 0.492417 1.751989 -4.397090
H -1.056068 1.076863 -3.836735
H -0.491624 2.650890 -3.191451
H -4.492519 0.327837 -0.138649
H -1.519627 -1.540128 -2.698682
H -6.316339 -0.422636 -1.719917
H -3.312777 -2.285759 -4.252779
H -5.717309 -1.738173 -3.776757


