%chk=000200339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200339

0 1
O 2.988083 0.224253 -0.481160
O 3.991660 -1.196913 0.960032
N -2.639288 -0.052645 0.106791
C -1.206623 0.008415 -0.369655
C -0.522271 1.258542 0.236528
C -0.442805 -1.251144 0.105975
C 0.944680 1.347838 -0.190251
C 1.025800 -1.199594 -0.321766
C 1.691508 0.072649 0.207729
C -3.412075 1.160817 -0.331494
C -3.336463 -1.289008 -0.388829
C -4.822550 1.131027 0.280626
C -4.746131 -1.373381 0.220638
C -5.577921 -0.136133 -0.137244
C 4.072833 -0.471331 -0.002705
C 5.259536 -0.166953 -0.878943
C 6.509443 0.048130 -0.036866
H -1.148736 0.067439 -1.486872
H -0.604212 1.220608 1.341789
H -1.054488 2.180555 -0.069170
H -0.913411 -2.169247 -0.296083
H -0.521632 -1.334795 1.209141
H 1.027938 1.500126 -1.285261
H 1.429616 2.230399 0.268295
H 1.567695 -2.089584 0.056920
H 1.113986 -1.237287 -1.424851
H 1.890755 0.014107 1.298917
H -3.480261 1.245168 -1.437487
H -2.877582 2.067394 0.030362
H -2.749165 -2.177501 -0.066809
H -3.399466 -1.326515 -1.497647
H -5.379924 2.034509 -0.024334
H -4.741583 1.167466 1.385912
H -4.662188 -1.458093 1.323092
H -5.247715 -2.293480 -0.128456
H -6.561654 -0.178247 0.365138
H -5.786862 -0.116511 -1.223205
H 5.401248 -1.016470 -1.582559
H 5.052120 0.720701 -1.515904
H 6.682460 -0.796889 0.646484
H 7.399207 0.152673 -0.668761
H 6.433140 0.951905 0.580942


%chk=000200339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200339

0 1
O 3.060190 0.353688 -0.643890
O 3.991059 -0.716607 1.212663
N -2.670492 -0.099423 0.066583
C -1.266186 -0.004697 -0.454179
C -0.596342 1.357690 -0.138360
C -0.399477 -1.142509 0.155545
C 0.872029 1.406299 -0.628424
C 1.062541 -1.106283 -0.349455
C 1.691490 0.258626 -0.030772
C -3.485054 1.139296 -0.068907
C -3.399300 -1.252153 -0.535389
C -4.856416 0.985254 0.623399
C -4.763796 -1.486259 0.143240
C -5.639283 -0.218105 0.056702
C 4.123729 -0.189709 0.083449
C 5.421976 -0.048330 -0.698718
C 6.666701 -0.378536 0.144160
H -1.261023 -0.122811 -1.573091
H -0.638493 1.529537 0.956720
H -1.142389 2.186634 -0.622463
H -0.829547 -2.133526 -0.074372
H -0.427767 -1.032014 1.257673
H 0.903023 1.325436 -1.733009
H 1.329237 2.376368 -0.359482
H 1.649298 -1.913036 0.125261
H 1.092994 -1.264715 -1.446054
H 1.806114 0.370816 1.065011
H -3.649387 1.404463 -1.148827
H -2.948687 1.979723 0.400680
H -2.782676 -2.161516 -0.437474
H -3.563095 -1.082316 -1.634439
H -5.431587 1.923264 0.498091
H -4.687611 0.837246 1.707853
H -4.593167 -1.748590 1.205196
H -5.268290 -2.346145 -0.338846
H -6.590501 -0.359258 0.604015
H -5.900661 -0.022501 -1.004236
H 5.353471 -0.721073 -1.576753
H 5.467181 0.976384 -1.111286
H 6.602295 -1.399016 0.558019
H 7.579506 -0.304721 -0.473057
H 6.765090 0.316121 0.996222


