%chk=000257844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257844

0 1
O 3.093283 1.233793 2.380428
O -0.597203 1.479072 -1.430951
O -3.920799 -1.399427 1.947206
N -4.781472 -0.827220 -0.746772
C 1.750019 -0.300578 -0.613470
C 1.542600 0.379450 0.718249
C 3.244455 -0.387869 -0.768054
C 3.903708 0.179024 0.352916
C 2.894761 0.683091 1.324111
C 0.383227 0.688460 1.309260
C -0.944039 0.392872 0.759221
C 3.977526 -0.926704 -1.817137
C 5.289377 0.208633 0.431785
C -3.536622 -0.331731 -0.246187
C -1.386233 0.788105 -0.514489
C -1.837567 -0.361440 1.542676
C -3.091504 -0.718209 1.055088
C -2.653536 0.445286 -1.010935
C 5.379962 -0.894619 -1.734601
C 6.029372 -0.337056 -0.629610
C -5.052810 -0.559182 -2.187299
C -5.961986 -0.478365 0.097439
C -0.146471 2.791946 -1.008963
C -4.018255 -2.825025 1.675320
H 1.271733 0.281040 -1.435949
H 1.268574 -1.298220 -0.638508
H 0.381367 1.169746 2.297658
H 3.485029 -1.362986 -2.681715
H 5.785533 0.645839 1.298931
H -1.551304 -0.688150 2.544741
H -2.919696 0.806174 -2.003240
H 5.969999 -1.314069 -2.550308
H 7.116748 -0.324835 -0.588790
H -5.204435 0.502710 -2.434677
H -5.958784 -1.114366 -2.483515
H -4.221366 -0.950682 -2.798056
H -5.739738 -0.687448 1.163933
H -6.809158 -1.118697 -0.193597
H -6.268310 0.574875 0.014967
H 0.556800 2.711278 -0.175287
H -1.005986 3.415292 -0.749059
H 0.353566 3.161484 -1.912385
H -4.428246 -2.994181 0.674109
H -4.709496 -3.161230 2.454911
H -3.035124 -3.288480 1.787305


%chk=000257844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257844

0 1
O 3.025457 0.745598 2.545706
O -0.591132 1.234358 -1.602308
O -4.062700 -1.271972 2.092886
N -4.969167 -0.635106 -0.643219
C 1.975171 -0.163995 -0.881425
C 1.641868 0.250620 0.544517
C 3.497280 -0.241413 -0.889166
C 4.030013 0.099375 0.381986
C 2.918592 0.412213 1.324860
C 0.430399 0.383838 1.177956
C -0.934314 0.234114 0.666030
C 4.366292 -0.582947 -1.943757
C 5.420614 0.109404 0.626043
C -3.665483 -0.340720 -0.197417
C -1.397727 0.561122 -0.648219
C -1.912138 -0.329796 1.541861
C -3.213595 -0.645139 1.137226
C -2.711095 0.272887 -1.060303
C 5.763444 -0.574937 -1.707337
C 6.289621 -0.231419 -0.432982
C -5.256121 -0.560473 -2.083946
C -6.139993 -0.347742 0.216904
C -0.225583 2.619719 -1.235167
C -4.259102 -2.717702 1.844726
H 1.579364 0.544926 -1.631184
H 1.509136 -1.137720 -1.132807
H 0.511241 0.556593 2.264111
H 3.975235 -0.850010 -2.932384
H 5.798316 0.376349 1.618812
H -1.627375 -0.597994 2.565557
H -2.993822 0.597489 -2.064938
H 6.451071 -0.837514 -2.519769
H 7.374056 -0.233335 -0.276954
H -5.348539 0.484713 -2.457343
H -6.213729 -1.073848 -2.279872
H -4.467155 -1.070257 -2.662048
H -5.863172 -0.450908 1.275646
H -6.956626 -1.056584 -0.013420
H -6.517215 0.684040 0.044416
H 0.372791 2.647552 -0.306528
H -1.138016 3.233846 -1.112051
H 0.370830 3.000072 -2.078862
H -4.724907 -2.890801 0.855891
H -4.924688 -3.069964 2.647685
H -3.289898 -3.249130 1.897288


