%chk=000272432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272432

0 1
O 0.880759 5.013068 0.935459
O -1.206529 4.534201 1.211493
O -1.491409 -0.323468 0.893290
O 1.624395 -0.326015 -1.177001
N -0.128989 4.385467 0.663217
N -2.368001 0.340150 -1.110014
N 2.320141 0.559699 0.812187
C -0.027116 3.333021 -0.490573
C -1.309902 2.486506 -0.461985
C 1.263774 2.531088 -0.261505
C 0.075091 4.159952 -1.775343
C -1.250075 1.268866 -1.400740
C 1.193704 1.520811 0.896756
C -2.377451 -0.421356 0.058151
C 2.409009 -0.349961 -0.238457
C -3.550220 -1.348334 0.181516
C 3.541000 -1.327273 -0.123689
C -3.331690 -2.730498 0.130381
C 3.245449 -2.694134 -0.046818
C -4.838596 -0.837414 0.381260
C 4.869971 -0.885646 -0.126608
C -4.413678 -3.605117 0.267969
C 4.287735 -3.621732 0.040575
C -5.915117 -1.717748 0.522238
C 5.907281 -1.818761 -0.043545
C -5.703316 -3.099575 0.462785
C 5.616479 -3.184737 0.042985
H -1.500568 2.130456 0.580041
H -2.189704 3.117002 -0.700943
H 1.500528 1.980428 -1.204250
H 2.119072 3.223578 -0.107284
H 0.944425 4.834121 -1.764886
H 0.186981 3.507062 -2.651462
H -0.816265 4.776852 -1.948102
H -1.303727 1.580366 -2.463668
H -0.279194 0.710092 -1.269771
H 1.232530 2.039097 1.877874
H 0.227817 0.940022 0.868719
H -3.125071 0.292450 -1.780643
H 2.974626 0.542939 1.585642
H -2.321705 -3.118616 -0.008580
H 2.206787 -3.028531 -0.061736
H -5.000446 0.238551 0.439028
H 5.096100 0.177272 -0.203616
H -4.249773 -4.681103 0.228163
H 4.063097 -4.685629 0.102836
H -6.918810 -1.326705 0.682475
H 6.942695 -1.481543 -0.048582
H -6.544398 -3.783353 0.572635
H 6.427103 -3.909667 0.109226


%chk=000272432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272432

0 1
O 0.812362 4.356020 1.591014
O -1.176949 5.014836 0.716552
O -1.718551 -0.531552 0.930458
O 1.707294 -0.627832 -1.036077
N -0.127511 4.271268 0.717201
N -2.531142 0.312795 -1.071274
N 2.522536 0.518935 0.808950
C -0.010940 3.201944 -0.442784
C -1.310998 2.353349 -0.342459
C 1.291855 2.394196 -0.263006
C 0.037818 4.031897 -1.749485
C -1.326170 1.132968 -1.301107
C 1.322784 1.375082 0.904506
C -2.647730 -0.479101 0.058212
C 2.630824 -0.449191 -0.171670
C -3.916499 -1.281160 0.196775
C 3.881883 -1.290108 -0.165486
C -3.884522 -2.415733 1.046890
C 3.825442 -2.551644 -0.810953
C -5.130530 -0.936362 -0.454042
C 5.102110 -0.867122 0.424636
C -5.037275 -3.208286 1.223599
C 4.959963 -3.388271 -0.843850
C -6.286378 -1.727178 -0.272198
C 6.239904 -1.703057 0.386329
C -6.241008 -2.868931 0.561004
C 6.170045 -2.968197 -0.241834
H -1.422595 1.967645 0.686324
H -2.178176 3.005236 -0.547705
H 1.445965 1.830243 -1.200762
H 2.138499 3.096309 -0.157287
H 0.946279 4.658714 -1.789239
H 0.061005 3.348993 -2.615988
H -0.847912 4.683440 -1.830721
H -1.336474 1.457966 -2.356828
H -0.434040 0.498652 -1.145812
H 1.352751 1.903168 1.871607
H 0.430056 0.722929 0.887343
H -3.246435 0.266398 -1.796210
H 3.225000 0.570387 1.546187
H -2.945834 -2.648249 1.560209
H 2.882229 -2.847724 -1.281415
H -5.200525 -0.031790 -1.070975
H 5.189879 0.126291 0.881812
H -5.000551 -4.086485 1.877366
H 4.904129 -4.364328 -1.338142
H -7.221774 -1.447861 -0.769393
H 7.179990 -1.364985 0.835916
H -7.138305 -3.481948 0.700669
H 7.053019 -3.616362 -0.269758


