%chk=000235701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235701

0 1
O -0.442819 0.782281 1.216532
O -1.505394 3.094398 -1.940390
N -3.012624 -0.009155 -0.865824
N 2.612110 0.373728 0.462568
C 0.298731 0.978574 -0.003436
C -0.751673 1.002311 -1.123836
C 1.349382 -0.151171 -0.154202
C -1.585710 -0.300275 -1.240301
C -1.797120 2.122924 -0.917833
C 1.114808 2.287859 0.102310
C -3.175825 1.456036 -1.134409
C 2.576462 1.874396 0.325515
C -3.305515 -0.372790 0.572693
C 3.855085 -0.239329 -0.130485
C -4.740205 0.046901 0.967621
C -3.145370 -1.898866 0.771423
C 5.087134 0.329109 0.612476
C 3.798555 -1.774144 0.050823
C -5.811527 -0.757995 0.220915
C -4.217524 -2.701886 0.024798
C 6.380127 -0.332892 0.119912
C 5.093446 -2.433946 -0.440340
C -5.628366 -2.265704 0.443883
C 6.322162 -1.858039 0.275246
H -0.224929 1.198135 -2.092741
H 1.041313 -1.050754 0.419046
H 1.460200 -0.453385 -1.213677
H -1.601109 -0.650791 -2.293708
H -1.166143 -1.122677 -0.627142
H -1.712337 2.622596 0.068047
H 0.733880 2.908207 0.932411
H 0.999096 2.906608 -0.806515
H -3.972276 1.906915 -0.512068
H -3.492283 1.560329 -2.195599
H 3.218087 2.254457 -0.494498
H 2.972954 2.289596 1.275635
H -2.579207 0.147117 1.259294
H 3.948079 -0.006061 -1.222486
H -4.887589 1.129166 0.780480
H -4.857248 -0.093842 2.058974
H -3.196678 -2.117194 1.854895
H -2.137220 -2.219981 0.442540
H 4.964939 0.165067 1.701530
H 5.158583 1.422683 0.475194
H 2.939235 -2.202570 -0.494901
H 3.632001 -2.010526 1.120442
H 0.175591 0.686198 1.974385
H -5.742349 -0.536025 -0.863697
H -6.818669 -0.442878 0.546220
H -4.080347 -3.781967 0.208952
H -4.092844 -2.545928 -1.066451
H 7.242467 0.070734 0.683198
H 6.558153 -0.070295 -0.940588
H 5.196554 -2.294493 -1.533623
H 5.039384 -3.526601 -0.275831
H -5.802230 -2.515600 1.506990
H -6.384858 -2.827581 -0.133661
H -2.199255 3.775840 -1.981638
H 7.244817 -2.316174 -0.125886
H 6.288305 -2.123749 1.349518


%chk=000235701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235701

0 1
O -0.007184 0.440495 0.973270
O -1.686973 3.186769 -1.624423
N -3.038496 -0.190764 -0.815290
N 2.651420 0.439108 0.061775
C 0.400346 0.910103 -0.374674
C -0.851078 0.908681 -1.263158
C 1.557536 -0.000091 -0.852817
C -1.637051 -0.456226 -1.289981
C -1.917201 1.953158 -0.846264
C 1.116131 2.291398 -0.252097
C -3.252601 1.233014 -1.179189
C 2.614410 1.940692 -0.011084
C -3.258761 -0.592945 0.622727
C 3.995361 -0.155921 -0.176998
C -4.537024 0.032179 1.237950
C -3.388407 -2.141815 0.694714
C 5.007467 0.354584 0.880110
C 3.944927 -1.704532 -0.155784
C -5.838574 -0.452598 0.555491
C -4.674800 -2.653279 0.005390
C 6.411325 -0.262909 0.681164
C 5.348232 -2.326600 -0.354176
C -5.940330 -1.996417 0.607309
C 6.356601 -1.807698 0.696008
H -0.533797 1.183954 -2.288775
H 1.322853 -1.067555 -0.716819
H 1.794809 0.189380 -1.930108
H -1.666676 -0.852544 -2.323013
H -1.154937 -1.204452 -0.641030
H -1.852770 2.164128 0.241039
H 0.672213 2.865065 0.577775
H 0.977607 2.880441 -1.173802
H -4.134455 1.665613 -0.682183
H -3.409151 1.306166 -2.276115
H 3.243215 2.309446 -0.857585
H 3.009976 2.380672 0.919498
H -2.385120 -0.284059 1.241669
H 4.369849 0.160719 -1.189566
H -4.480032 1.137849 1.243267
H -4.558173 -0.271557 2.304911
H -3.389758 -2.436966 1.764933
H -2.500955 -2.620258 0.237677
H 4.617557 0.091572 1.884511
H 5.082467 1.457264 0.838109
H 3.267115 -2.079783 -0.945507
H 3.522745 -2.026006 0.818260
H 0.855381 0.247228 1.438841
H -5.847163 -0.126462 -0.502925
H -6.717627 0.007629 1.048802
H -4.737949 -3.756147 0.091085
H -4.614636 -2.404145 -1.071447
H 7.095827 0.106885 1.468850
H 6.828731 0.077742 -0.289346
H 5.719490 -2.075453 -1.369645
H 5.274307 -3.430185 -0.306630
H -6.056270 -2.317985 1.664205
H -6.844342 -2.339382 0.066696
H -2.319136 3.883698 -1.315672
H 7.361824 -2.230777 0.505136
H 6.046105 -2.153220 1.703633


