%chk=000250665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250665

0 1
O 0.251495 -2.738900 -1.804302
O -0.296285 -2.770454 1.723234
N -1.907847 -0.812895 0.531061
N 1.842701 -0.784302 -0.580412
N -1.857652 -0.826106 -1.766290
N 1.792095 -0.834546 1.716405
C -0.546214 -2.651975 -0.613899
C 0.500382 -2.655694 0.534494
C -1.419920 -1.429035 -0.639017
C 1.361026 -1.424131 0.579530
C -2.701478 0.264986 0.107904
C 2.624661 0.295091 -0.139890
C -2.663295 0.242561 -1.333394
C 2.586419 0.249328 1.300881
C -3.439024 1.236593 0.812227
C 3.351883 1.285697 -0.828348
C -3.378866 1.209929 -2.070764
C 3.291472 1.212442 2.053822
C -4.126737 2.168867 0.058007
C 4.029401 2.213142 -0.059133
C -4.097658 2.155504 -1.365090
C 4.000204 2.176790 1.363582
H -1.181296 -3.573548 -0.548262
H 1.145160 -3.569378 0.453870
H -1.679273 -1.086360 1.478742
H 1.617274 -1.045143 -1.532437
H -0.296419 -2.497834 -2.600429
H 0.249050 -2.536334 2.523286
H -3.457762 1.244943 1.897672
H 3.370696 1.311549 -1.913519
H -3.350171 1.190412 -3.158516
H 3.262717 1.175295 3.141117
H -4.711781 2.942790 0.555087
H 4.606232 3.001115 -0.543589
H -4.662604 2.918743 -1.899325
H 4.556813 2.937460 1.910093


%chk=000250665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250665

0 1
O 0.160147 -2.459963 -1.899244
O -0.207642 -2.492442 1.823435
N -2.212288 -0.929078 0.549290
N 2.147474 -0.896687 -0.600260
N -1.804533 -0.661541 -1.677234
N 1.738894 -0.670290 1.630690
C -0.546707 -2.517935 -0.612353
C 0.499519 -2.521831 0.535776
C -1.509146 -1.357338 -0.564329
C 1.449677 -1.350545 0.506596
C -3.030019 0.137088 0.140016
C 2.954140 0.171235 -0.174061
C -2.764959 0.292537 -1.267272
C 2.688738 0.300570 1.235793
C -3.946352 0.957699 0.828527
C 3.860821 1.013081 -0.849624
C -3.435823 1.290798 -2.008449
C 3.349283 1.293826 1.992769
C -4.605642 1.948474 0.070239
C 4.509838 1.998502 -0.075667
C -4.355512 2.111961 -1.324651
C 4.259158 2.136324 1.321895
H -1.111055 -3.470495 -0.542206
H 1.073873 -3.467107 0.449966
H -2.037368 -1.313720 1.481503
H 1.975411 -1.267589 -1.538565
H -0.403907 -1.849700 -2.470334
H 0.349586 -1.885203 2.404312
H -4.143697 0.838402 1.898635
H 4.058513 0.913540 -1.921693
H -3.240530 1.414083 -3.077998
H 3.153612 1.397363 3.064345
H -5.327396 2.608490 0.563632
H 5.223892 2.674357 -0.558720
H -4.891305 2.894286 -1.873010
H 4.786705 2.915451 1.882651


