%chk=000226179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226179

0 1
O -0.613822 0.008814 1.874145
O -4.589663 1.969675 -1.736025
O -5.385429 -2.184464 0.602048
O -6.356804 -0.238160 -1.052126
N 5.647663 0.202492 -0.067255
N -0.022679 -0.018443 -0.358712
C 8.567779 -0.030133 0.096185
C 7.730216 0.534960 1.248936
C 7.843138 0.204764 -1.234064
C 6.312049 -0.058426 1.249896
C 6.423856 -0.385443 -1.205987
C 4.230503 0.052214 -0.112921
C 3.447909 0.160863 1.060799
C 3.559431 -0.078748 -1.352109
C 2.058928 0.142409 1.003990
C 2.170520 -0.098469 -1.413889
C 1.407926 0.009095 -0.234574
C -0.938902 -0.011380 0.702060
C -2.376300 -0.056020 0.242264
C -3.163790 -1.136307 0.659828
C -2.888434 0.960341 -0.552445
C -4.246284 0.907796 -0.947189
C -4.503056 -1.188981 0.260242
C -5.067449 -0.166821 -0.551126
C -5.957124 2.069713 -2.215845
C -4.902929 -3.244421 1.468553
C -7.396298 -0.340507 -0.039282
H 8.748900 -1.110997 0.248245
H 9.564336 0.448813 0.077858
H 8.216428 0.329347 2.220044
H 7.667107 1.638489 1.157527
H 7.784991 1.293194 -1.438989
H 8.411700 -0.241037 -2.070439
H 5.713816 0.424942 2.057147
H 6.349604 -1.146285 1.477140
H 6.469367 -1.494257 -1.135270
H 5.905960 -0.138588 -2.161704
H 3.930383 0.277404 2.031857
H 4.131112 -0.149412 -2.277575
H 1.474455 0.229948 1.927809
H 1.682820 -0.197302 -2.382131
H -0.381802 -0.049065 -1.315681
H -2.728494 -1.903068 1.295635
H -2.287422 1.813657 -0.863847
H -5.900982 2.957654 -2.855700
H -6.636429 2.215096 -1.371831
H -6.225974 1.170510 -2.783295
H -4.588321 -2.835119 2.433209
H -5.800537 -3.867164 1.574259
H -4.097908 -3.798296 0.976586
H -7.309900 -1.301369 0.483511
H -7.334844 0.498089 0.656630
H -8.306220 -0.301795 -0.646794


%chk=000226179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226179

0 1
O -0.629586 -1.175453 1.622121
O -4.448121 1.326939 -2.359566
O -5.683410 -1.958585 1.072263
O -6.470346 -0.336463 -1.058072
N 5.716356 0.165462 -0.053854
N 0.013329 -0.177328 -0.402627
C 8.657475 0.231443 0.099379
C 7.769127 0.541570 1.322868
C 7.904761 0.614388 -1.193210
C 6.394150 -0.154270 1.220166
C 6.542168 -0.105518 -1.257849
C 4.305345 0.031395 -0.132387
C 3.531831 -0.509095 0.939017
C 3.585482 0.480657 -1.282850
C 2.126450 -0.586803 0.885640
C 2.186100 0.394072 -1.345773
C 1.430599 -0.134997 -0.264335
C -0.933497 -0.638763 0.506123
C -2.371608 -0.488259 0.077721
C -3.323554 -1.255957 0.792896
C -2.805066 0.370136 -0.954839
C -4.177887 0.458791 -1.294495
C -4.686125 -1.188212 0.451908
C -5.140336 -0.331967 -0.603035
C -5.758116 1.992088 -2.478708
C -5.252950 -2.914417 2.099234
C -7.529831 -0.010957 -0.077060
H 8.898954 -0.851725 0.078627
H 9.617822 0.775778 0.168766
H 8.261975 0.218669 2.259905
H 7.609363 1.635428 1.390020
H 7.739131 1.709091 -1.215385
H 8.497916 0.344955 -2.088215
H 5.759582 0.192400 2.053602
H 6.526959 -1.258471 1.336710
H 6.719341 -1.205102 -1.351924
H 5.993665 0.208728 -2.158888
H 4.025922 -0.902771 1.831481
H 4.117088 0.933525 -2.125292
H 1.559475 -1.010087 1.716604
H 1.670954 0.760482 -2.244145
H -0.343925 0.155130 -1.300502
H -2.949919 -1.891348 1.599953
H -2.133093 1.043691 -1.497089
H -5.597760 2.775924 -3.235723
H -6.056315 2.455779 -1.518528
H -6.534837 1.283454 -2.803978
H -4.790083 -2.397238 2.960952
H -6.174093 -3.423823 2.418429
H -4.540326 -3.650638 1.682276
H -7.545098 -0.752940 0.736634
H -7.373785 1.005524 0.335657
H -8.468555 -0.044509 -0.651023


