%chk=000218534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218534

0 1
O 0.264263 2.292227 -1.107726
O -5.910566 0.178531 1.581678
O -6.049362 -1.056245 -0.189570
N 0.851227 0.088989 -0.899778
N -5.452801 -0.297757 0.556606
C 3.153269 0.148843 0.104992
C 3.082556 -1.283425 0.669713
C 4.598989 0.581218 -0.212629
C 2.289743 0.329477 -1.166527
C 3.511085 -2.375706 -0.318684
C 5.443486 0.760631 1.056697
C 3.445476 -3.764278 0.312783
C 6.866470 1.205070 0.727143
C -0.053031 1.144757 -0.850426
C -1.460265 0.741631 -0.484846
C -2.032419 1.277411 0.676152
C -2.188341 -0.120094 -1.315150
C -3.342151 0.940060 1.021848
C -3.499837 -0.460413 -0.979637
C -4.062240 0.068869 0.191295
H 2.748518 0.837979 0.890802
H 2.058151 -1.488706 1.033311
H 3.725009 -1.338735 1.573298
H 5.079730 -0.159804 -0.880147
H 4.589291 1.533920 -0.778874
H 2.618387 -0.364955 -1.971005
H 2.413602 1.367508 -1.564203
H 4.543170 -2.174289 -0.671448
H 2.872693 -2.346763 -1.222800
H 4.965953 1.503935 1.725237
H 5.471592 -0.188878 1.628035
H 0.598977 -0.844846 -0.592178
H 4.106822 -3.844311 1.183551
H 2.432701 -4.012582 0.648647
H 3.752804 -4.538106 -0.400226
H 6.878498 2.163560 0.195268
H 7.383929 0.473896 0.095837
H 7.462573 1.330534 1.638320
H -1.460312 1.968854 1.300221
H -1.739369 -0.515112 -2.228654
H -3.810638 1.347954 1.924928
H -4.090329 -1.129447 -1.615856


%chk=000218534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218534

0 1
O 0.389712 2.263899 -0.146227
O -6.246867 0.440787 1.232145
O -6.099837 -1.232731 -0.311092
N 0.843752 0.133448 -0.963898
N -5.591277 -0.259497 0.368722
C 3.163115 0.193567 0.077097
C 3.068623 -1.254943 0.633336
C 4.611523 0.648509 -0.250426
C 2.275122 0.412172 -1.181862
C 3.604332 -2.375779 -0.290094
C 5.590407 0.588920 0.944617
C 3.455291 -3.775385 0.346352
C 6.969660 1.196068 0.607817
C -0.008817 1.095376 -0.454307
C -1.455543 0.691089 -0.273915
C -2.226574 1.441098 0.651585
C -2.070773 -0.360696 -1.004000
C -3.581312 1.135768 0.872832
C -3.427743 -0.676810 -0.800073
C -4.160808 0.073333 0.144369
H 2.769161 0.874388 0.860339
H 2.009459 -1.471879 0.886064
H 3.615055 -1.301324 1.596004
H 5.021385 0.043057 -1.086110
H 4.573464 1.694738 -0.619378
H 2.625614 -0.220584 -2.018609
H 2.354308 1.469045 -1.492207
H 4.672170 -2.193353 -0.520777
H 3.072314 -2.360839 -1.263605
H 5.147364 1.130234 1.805324
H 5.725225 -0.461227 1.270984
H 0.511771 -0.824617 -1.077628
H 4.011503 -3.834829 1.300642
H 2.394791 -4.003553 0.565544
H 3.841692 -4.568379 -0.319813
H 6.875674 2.261212 0.324196
H 7.441985 0.664618 -0.240256
H 7.659394 1.135786 1.469592
H -1.738300 2.267078 1.177532
H -1.511328 -0.916079 -1.764995
H -4.191974 1.695548 1.585693
H -3.925408 -1.475830 -1.355513


