%chk=000257747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257747

0 1
O 1.365310 1.308466 0.388273
O -1.734048 0.907036 0.041117
O 3.404191 2.990204 1.288764
O -4.199237 2.137319 -0.414044
N 1.997889 -2.229758 -1.347081
N -1.275538 -3.012757 0.636095
C 0.582987 -4.135790 -0.587419
C 0.834091 -3.077617 -1.675117
C 0.092107 -3.557963 0.750887
C 2.955827 -0.231643 -0.400749
C -2.794414 -1.177106 0.276779
C 2.700847 0.989728 0.254604
C -2.920023 0.202760 0.018843
C 1.808204 -1.096286 -0.753378
C -1.436552 -1.749437 0.409540
C 3.781570 1.827511 0.641278
C -4.207686 0.779169 -0.151494
C 4.286518 -0.586929 -0.686343
C -3.958829 -1.958152 0.389075
C 5.095638 1.450438 0.361683
C -5.350316 -0.015414 -0.050637
C 5.337752 0.243285 -0.308917
C -5.215699 -1.383088 0.226615
C 0.961452 1.964566 1.619329
C -1.583858 1.981630 -0.924130
C 4.460928 3.854889 1.771746
C -5.475746 2.773444 -0.666030
H 1.516791 -4.706637 -0.405523
H -0.160066 -4.866185 -0.968619
H 1.092646 -3.592367 -2.631684
H -0.099057 -2.504614 -1.872989
H 0.834905 -2.830849 1.148133
H 0.029231 -4.381509 1.502329
H 0.820426 -0.673868 -0.450891
H -0.620510 -0.997980 0.286981
H 4.478931 -1.529920 -1.205456
H -3.857007 -3.026084 0.600948
H 5.932966 2.080591 0.646611
H -6.342034 0.409583 -0.174234
H 6.364042 -0.044011 -0.534106
H -6.109816 -1.999063 0.314021
H -0.133722 1.865732 1.568604
H 1.283936 3.011947 1.593679
H 1.370129 1.445597 2.488049
H -1.868377 1.648329 -1.923632
H -2.185070 2.841014 -0.605304
H -0.503629 2.182966 -0.858208
H 3.887502 4.662848 2.243823
H 5.053197 4.234565 0.934096
H 5.079329 3.330732 2.505661
H -5.172455 3.810992 -0.855722
H -6.113427 2.709125 0.220431
H -5.954223 2.336263 -1.546785


%chk=000257747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257747

0 1
O 1.524379 1.489358 0.316877
O -1.936102 1.027217 0.132933
O 3.607584 3.127824 1.195347
O -4.440439 2.186848 -0.293417
N 2.140353 -2.271441 -1.226763
N -1.394581 -3.034934 0.505157
C 0.579088 -4.101947 -0.579763
C 0.937913 -3.027873 -1.639909
C -0.012039 -3.511828 0.727114
C 3.117210 -0.199625 -0.386710
C -2.950136 -1.172893 0.262825
C 2.861277 1.063688 0.217183
C -3.092238 0.229062 0.061672
C 1.981857 -1.030404 -0.844171
C -1.605509 -1.743800 0.496677
C 3.953513 1.881084 0.644077
C -4.391410 0.789406 -0.141813
C 4.460011 -0.643197 -0.544065
C -4.104154 -2.005118 0.242080
C 5.280348 1.421593 0.486481
C -5.525507 -0.053181 -0.166443
C 5.526203 0.158334 -0.107484
C -5.374401 -1.449413 0.025179
C 1.015232 1.823310 1.670860
C -1.613798 1.865306 -1.048885
C 4.702977 4.013926 1.595492
C -5.762114 2.800689 -0.441077
H 1.493773 -4.674153 -0.334458
H -0.156573 -4.804998 -1.014209
H 1.179630 -3.546088 -2.586974
H 0.052879 -2.374542 -1.819950
H 0.666556 -2.716710 1.113703
H -0.056736 -4.320543 1.480714
H 0.994096 -0.528552 -0.837544
H -0.797099 -1.004835 0.663659
H 4.620780 -1.621348 -1.006951
H -3.958367 -3.078504 0.395144
H 6.123579 2.039293 0.809920
H -6.524515 0.365276 -0.321812
H 6.559308 -0.184811 -0.227696
H -6.261617 -2.091339 0.007755
H -0.078360 1.866097 1.556108
H 1.429711 2.786958 2.008491
H 1.284180 1.024267 2.387961
H -1.683213 1.262928 -1.974764
H -2.300348 2.725382 -1.106769
H -0.572361 2.183836 -0.890986
H 4.211898 4.923256 1.972059
H 5.348398 4.268049 0.732459
H 5.317098 3.561185 2.398268
H -5.568785 3.880877 -0.516176
H -6.399353 2.595108 0.440690
H -6.272072 2.447619 -1.358591


