%chk=000272008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272008

0 1
O 2.068424 -1.739574 0.242558
O 1.029970 1.646869 -0.113230
O 0.128759 -2.898406 0.324746
O -5.359972 0.417174 -0.201221
N 4.854683 1.339956 -0.070521
N 0.145054 -0.518276 0.082096
C 2.513116 -0.335432 0.093486
C 3.317223 0.007865 1.343562
C 3.334566 -0.264479 -1.190063
C 4.013372 1.367407 1.165406
C 4.030274 1.102846 -1.295367
C 1.186226 0.459905 -0.001785
C 0.686035 -1.843502 0.230384
C -1.273628 -0.239894 0.025213
C -1.745400 1.035295 0.369418
C -2.168960 -1.254247 -0.380366
C -3.113900 1.312657 0.308714
C -3.528319 -0.988144 -0.437591
C -3.992863 0.300695 -0.092571
C -5.958149 1.693708 0.130363
H 4.077932 -0.790863 1.502159
H 2.683982 0.004730 2.249612
H 2.713210 -0.459949 -2.083303
H 4.095976 -1.077640 -1.165552
H 3.249494 2.178741 1.157737
H 4.688599 1.555404 2.029308
H 4.717479 1.103910 -2.170246
H 3.267681 1.896236 -1.471059
H 5.354359 2.232099 -0.163024
H -1.052041 1.824901 0.673329
H -1.801459 -2.252917 -0.637398
H -3.469524 2.304177 0.571805
H -4.243976 -1.751085 -0.741658
H -5.591857 2.472553 -0.544419
H -5.773418 1.939498 1.179895
H -7.023544 1.491882 -0.044117


%chk=000272008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272008

0 1
O 2.078345 -1.774663 0.353965
O 1.032845 1.630583 -0.245818
O 0.056270 -2.918811 0.537231
O -5.413984 0.455644 -0.306228
N 4.859254 1.353076 -0.113795
N 0.146067 -0.555279 0.115699
C 2.511932 -0.347483 0.123035
C 3.324463 0.106800 1.358059
C 3.374620 -0.313910 -1.159444
C 4.022880 1.462638 1.101637
C 4.070527 1.056412 -1.330355
C 1.178512 0.402350 -0.030848
C 0.681504 -1.865847 0.356932
C -1.268807 -0.278606 0.030524
C -1.777309 0.947182 0.515859
C -2.147249 -1.227656 -0.554354
C -3.155396 1.233557 0.418934
C -3.519858 -0.948479 -0.642201
C -4.031981 0.282637 -0.159815
C -5.997363 1.709565 0.178820
H 4.091511 -0.666796 1.541596
H 2.671136 0.166891 2.247872
H 2.756570 -0.549467 -2.045046
H 4.143350 -1.099930 -1.051350
H 3.251582 2.264533 1.027533
H 4.674114 1.694495 1.963680
H 4.756065 1.000584 -2.195088
H 3.301138 1.832655 -1.549574
H 5.484865 2.158269 -0.235994
H -1.102005 1.686644 0.951610
H -1.764043 -2.183911 -0.917245
H -3.525150 2.190696 0.796992
H -4.214066 -1.669714 -1.082709
H -5.573874 2.582679 -0.354514
H -5.844803 1.828633 1.269068
H -7.072256 1.628128 -0.038368


