%chk=000248043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248043

0 1
O -4.790977 -1.719469 -0.381137
O -4.772724 1.366610 -0.159530
O 3.775897 -1.412356 1.014412
N -1.305970 -0.727303 0.190044
N 1.504191 -0.126257 -0.191449
C -0.756454 -0.381578 -1.162437
C -0.248799 -1.420825 0.999462
C 0.449900 0.565620 -0.999916
C 0.965932 -0.488782 1.163722
C -2.524608 -1.587617 0.075583
C -3.731083 -0.730459 -0.363855
C 2.779688 0.535354 -0.131740
C -4.065124 0.382340 0.640162
C 3.899881 -0.171998 0.387244
C 3.014193 1.824299 -0.643980
C 5.181497 0.383640 0.397687
C 4.299090 2.376663 -0.641737
C -5.974221 -1.293602 -1.086195
C 5.381024 1.667370 -0.117724
C -5.046685 2.587110 0.549445
C 3.539772 -2.517436 0.100349
H -1.550454 0.141044 -1.739603
H -0.455598 -1.277160 -1.748669
H 0.074834 -2.385316 0.551187
H -0.669032 -1.646545 2.003473
H 0.114036 1.520026 -0.536776
H 0.865529 0.799873 -2.003954
H 1.766625 -1.016060 1.736591
H 0.677500 0.412697 1.746891
H -2.753383 -2.041054 1.066305
H -2.415621 -2.440351 -0.629874
H -3.603135 -0.303374 -1.382925
H -3.152139 0.836504 1.066169
H -4.730994 0.025690 1.442837
H 2.193578 2.417641 -1.041538
H 6.006404 -0.193652 0.812842
H 4.451036 3.375802 -1.047866
H -6.712568 -2.051738 -0.804956
H -5.783640 -1.307260 -2.162847
H -6.286033 -0.293426 -0.757616
H 6.376050 2.106515 -0.111340
H -5.692545 2.395487 1.411096
H -5.569740 3.191003 -0.201790
H -4.114919 3.072470 0.854965
H 2.616123 -2.356672 -0.466336
H 3.449557 -3.366850 0.784842
H 4.399510 -2.630121 -0.564620


%chk=000248043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248043

0 1
O -4.811162 -1.735439 -0.476261
O -4.949931 1.383598 -0.065416
O 3.771186 -1.420016 1.104573
N -1.281160 -0.699940 0.169386
N 1.526526 -0.028862 -0.135842
C -0.698418 -0.392335 -1.159699
C -0.248143 -1.317723 1.039127
C 0.505431 0.556790 -1.028906
C 0.958899 -0.382095 1.196421
C -2.512202 -1.521237 0.083929
C -3.752732 -0.719683 -0.372695
C 2.839851 0.521510 -0.163370
C -4.092446 0.400799 0.616051
C 3.940177 -0.165323 0.453255
C 3.132564 1.752290 -0.819654
C 5.232344 0.392771 0.466152
C 4.436952 2.292289 -0.831698
C -5.973815 -1.313792 -1.266749
C 5.493472 1.626887 -0.171997
C -5.277179 2.514202 0.799554
C 3.476551 -2.540133 0.183547
H -1.463515 0.093265 -1.791562
H -0.367457 -1.327978 -1.679716
H 0.100666 -2.298829 0.625948
H -0.689854 -1.506863 2.034935
H 0.145549 1.542131 -0.648378
H 0.946408 0.712298 -2.029829
H 1.741453 -0.869894 1.798513
H 0.630272 0.543583 1.722016
H -2.725942 -1.936431 1.087354
H -2.400564 -2.389147 -0.608643
H -3.582576 -0.257349 -1.370583
H -3.147606 0.882242 0.949466
H -4.620581 -0.028391 1.496465
H 2.325155 2.312673 -1.300780
H 6.025408 -0.171774 0.967906
H 4.619128 3.244770 -1.342190
H -6.645152 -2.187227 -1.298390
H -5.672200 -1.039809 -2.299968
H -6.485710 -0.447291 -0.809707
H 6.503254 2.050097 -0.163200
H -5.845728 2.190583 1.697854
H -5.899481 3.197703 0.200133
H -4.361222 3.047475 1.133765
H 2.556458 -2.340255 -0.396639
H 3.344238 -3.424770 0.825794
H 4.328233 -2.698873 -0.505375


