%chk=000272908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272908

0 1
O -2.418970 4.208991 0.000363
O -5.931830 -2.807277 0.000922
O -4.029424 2.586463 0.000241
O -5.578216 -0.548719 0.001381
N 0.862314 0.887794 0.000322
N 1.038540 -1.952857 0.000331
N -2.729257 -0.025218 0.000769
N -1.683361 2.116103 0.000567
N -3.811033 -2.163225 0.000997
C 2.036337 0.273197 0.000196
C 2.124611 -1.192478 0.000201
C -0.279599 0.105536 0.000464
C -0.212916 -1.323330 0.000476
C 3.268900 1.097860 0.000031
C 3.451818 -1.857609 0.000035
C -1.603346 0.717187 0.000601
C -1.396073 -2.086876 0.000635
C -2.621413 -1.406308 0.000792
C 3.849129 1.482435 1.217172
C 3.848237 1.483276 -1.217268
C 4.073477 -2.167550 -1.217648
C 4.074065 -2.166989 1.217561
C 5.017628 2.249162 1.211560
C 5.016744 2.249996 -1.211982
C 5.328726 -2.782166 -1.212177
C 5.329309 -2.781610 1.211766
C 5.602279 2.631635 -0.000293
C 5.957101 -3.087456 -0.000287
C -2.871599 2.896463 0.000539
C -5.139616 -1.663543 0.001296
C -3.475240 5.237629 -0.000002
C -7.385341 -2.564126 0.000834
C -2.697675 6.534646 -0.000069
C -7.974000 -3.957219 0.000438
H -1.323335 -3.172596 0.000653
H 3.388961 1.189214 2.159119
H 3.387375 1.190710 -2.159081
H 3.579006 -1.936226 -2.159728
H 3.580052 -1.935229 2.159773
H -0.783659 2.635235 0.000550
H 5.472261 2.550116 2.154235
H 5.470687 2.551599 -2.154782
H 5.816493 -3.025300 -2.155053
H 5.817531 -3.024314 2.154518
H -3.708463 -3.188136 0.000887
H 6.512923 3.228223 -0.000420
H 6.935228 -3.565929 -0.000412
H -4.089039 5.086399 0.904984
H -4.088704 5.086105 -0.905164
H -7.625853 -1.979169 -0.904017
H -7.626032 -1.979608 0.905922
H -2.045267 6.612396 0.881210
H -2.044968 6.612129 -0.881148
H -3.371163 7.400299 -0.000313
H -7.652880 -4.529468 -0.881205
H -7.653034 -4.529903 0.881856
H -9.070427 -3.923268 0.000352


%chk=000272908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272908

0 1
O -2.171457 4.243371 -0.000667
O -5.957297 -2.978076 -0.000115
O -3.965035 2.714635 -0.001847
O -5.682718 -0.635803 -0.000502
N 0.774314 0.866625 -0.000480
N 1.001164 -1.987413 0.000258
N -2.787235 -0.065888 -0.001216
N -1.665800 2.055804 -0.001451
N -3.856837 -2.195638 -0.001114
C 1.989029 0.267676 0.000018
C 2.091428 -1.187003 0.000401
C -0.337468 0.061777 -0.000563
C -0.248297 -1.372772 -0.000200
C 3.199256 1.151158 -0.000192
C 3.432070 -1.860810 0.000710
C -1.662311 0.663664 -0.001074
C -1.443715 -2.134962 -0.000344
C -2.672210 -1.437873 -0.000855
C 3.770986 1.583747 1.222208
C 3.767408 1.587787 -1.222824
C 4.066550 -2.191275 -1.221908
C 4.066868 -2.189765 1.223569
C 4.895346 2.438416 1.221813
C 4.891809 2.442412 -1.222893
C 5.321653 -2.839150 -1.221277
C 5.321953 -2.837672 1.223410
C 5.459590 2.869604 -0.000658
C 5.954006 -3.162031 0.001184
C -2.743008 2.949571 -0.002125
C -5.195942 -1.778967 -0.001399
C -3.155818 5.361152 0.000208
C -7.432552 -2.776701 0.001282
C -2.348669 6.655630 0.001784
C -8.067353 -4.163680 0.002491
H -1.384285 -3.226610 -0.000065
H 3.331506 1.257897 2.171905
H 3.325126 1.265089 -2.172294
H 3.575291 -1.950453 -2.171526
H 3.575849 -1.947811 2.173024
H -0.721210 2.468592 -0.001160
H 5.327426 2.768432 2.172927
H 5.321143 2.775532 -2.174168
H 5.802528 -3.092745 -2.172410
H 5.803057 -3.090127 2.174731
H -3.746124 -3.212361 -0.001033
H 6.331582 3.532908 -0.000837
H 6.927775 -3.664149 0.001368
H -3.797977 5.262313 0.894441
H -3.797444 5.264152 -0.894609
H -7.706532 -2.187768 -0.893049
H -7.704767 -2.187023 0.895661
H -1.707040 6.719116 0.897092
H -1.706498 6.720958 -0.893004
H -3.034766 7.522243 0.002467
H -7.769812 -4.735601 -0.893027
H -7.768051 -4.734853 0.897899
H -9.168486 -4.068181 0.003533


