%chk=000244142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244142

0 1
O 2.382646 0.148813 1.392899
O -0.082821 2.270882 -0.584458
O -0.114556 -2.341899 -0.116967
N -0.469358 -0.031554 -0.335176
C 1.771202 0.691697 -0.795043
C 1.763248 -0.860679 -0.622105
C 2.730668 1.140128 0.361045
C 2.713916 -1.053246 0.609727
C 0.333658 1.142822 -0.563369
C 0.319237 -1.237710 -0.313727
C 4.131339 0.651098 -0.028025
C 4.121585 -0.684723 0.124250
C -1.895272 0.001128 -0.081482
C -2.484170 1.156183 0.461341
C -2.679314 -1.124819 -0.388449
C -3.861613 1.176889 0.688792
C -4.054101 -1.084470 -0.148192
C -4.649683 0.061892 0.387072
H 2.125642 1.029915 -1.787885
H 2.120615 -1.411509 -1.513921
H 2.597816 2.141772 0.772692
H 2.565333 -1.935240 1.234588
H 4.911139 1.313944 -0.345644
H 4.891163 -1.413296 -0.034575
H -1.881071 2.036656 0.694207
H -2.224580 -2.031132 -0.792992
H -4.321682 2.072281 1.106571
H -4.664124 -1.957103 -0.380902
H -5.721860 0.085679 0.569428


%chk=000244142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244142

0 1
O 2.259872 0.274666 1.395170
O -0.101342 2.240609 -0.867615
O -0.100440 -2.398298 -0.027875
N -0.459355 -0.067799 -0.385860
C 1.783679 0.630604 -0.891430
C 1.785213 -0.896647 -0.605029
C 2.691115 1.183544 0.286769
C 2.683538 -0.982143 0.701323
C 0.329650 1.073300 -0.729101
C 0.330361 -1.256451 -0.306699
C 4.116529 0.695904 0.006545
C 4.112582 -0.641300 0.264873
C -1.875512 -0.018888 -0.106731
C -2.412138 1.074704 0.615078
C -2.716372 -1.066994 -0.552915
C -3.796326 1.115964 0.883808
C -4.097677 -1.016866 -0.269735
C -4.643774 0.072777 0.445880
H 2.160048 0.934794 -1.879883
H 2.172964 -1.534960 -1.413497
H 2.525529 2.231435 0.561899
H 2.508422 -1.853346 1.342561
H 4.927034 1.315144 -0.379709
H 4.919066 -1.364463 0.137501
H -1.759609 1.882980 0.952236
H -2.294917 -1.914699 -1.097953
H -4.210175 1.963657 1.440214
H -4.745872 -1.830943 -0.611146
H -5.717090 0.108113 0.661021


