%chk=000267496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267496

0 1
O -5.108728 0.925037 0.001064
O 5.542589 -1.871342 -0.011464
O -2.979657 -1.970095 -0.006884
N 5.327399 0.427258 -0.004937
N -2.496797 0.313316 -0.003448
N -1.142233 0.098714 -0.004060
C 3.902209 0.541743 -0.004473
C 1.117110 0.900740 -0.003130
C 3.358187 1.845517 -0.001305
C 3.051191 -0.577187 -0.006966
C 1.976458 2.014690 -0.000660
C 1.670856 -0.392941 -0.006280
C -0.338379 1.128923 -0.002337
C -4.789543 -0.449075 -0.004190
C 6.069587 -0.779425 -0.008433
C -3.353705 -0.821413 -0.004955
C -5.937642 -1.202904 -0.007698
C -7.041587 -0.277600 -0.004595
C 7.558508 -0.566914 -0.008095
C -6.502088 0.983264 0.000635
H 4.005238 2.718490 0.000630
H 3.467237 -1.591966 -0.009461
H 1.564335 3.023540 0.001794
H 1.008345 -1.265887 -0.008204
H 5.839577 1.311274 -0.002606
H -0.647133 2.185191 -0.000303
H -6.011980 -2.277954 -0.011897
H -2.898830 1.261185 -0.001449
H -8.080098 -0.552591 -0.006180
H -6.878161 1.983525 0.004451
H 7.908319 -0.025978 -0.897057
H 8.071641 -1.544604 -0.009021
H 7.908474 -0.027531 0.881715


%chk=000267496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267496

0 1
O -5.112261 0.993748 -0.001265
O 5.759125 -1.904895 -0.011293
O -3.167285 -2.109212 -0.009392
N 5.359792 0.412194 -0.005049
N -2.517488 0.168696 -0.003600
N -1.163192 -0.095983 -0.004592
C 3.940668 0.479833 -0.004458
C 1.103524 0.767688 -0.002911
C 3.346392 1.771867 -0.000843
C 3.104936 -0.674964 -0.007296
C 1.948963 1.911456 -0.000083
C 1.709681 -0.521841 -0.006507
C -0.349464 0.942801 -0.002121
C -4.855207 -0.405632 -0.004705
C 6.190925 -0.716841 -0.008380
C -3.453568 -0.880949 -0.006198
C -6.060906 -1.091309 -0.006109
C -7.116110 -0.104560 -0.003501
C 7.682102 -0.375605 -0.008124
C -6.510206 1.141686 -0.000615
H 3.982741 2.666517 0.001363
H 3.564871 -1.664316 -0.010058
H 1.507018 2.915480 0.002721
H 1.058692 -1.401929 -0.008692
H 5.839115 1.316419 -0.002740
H -0.725480 1.987669 0.000653
H -6.160343 -2.174044 -0.008702
H -2.876309 1.137233 -0.001072
H -8.187044 -0.295821 -0.003746
H -6.877552 2.164164 0.001952
H 7.959816 0.210820 -0.903713
H 8.254822 -1.313602 -0.008536
H 7.959931 0.210232 0.887809


