%chk=000216078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216078

0 1
O -4.541598 0.387455 -0.096812
O -4.164175 2.991710 -0.126473
N 1.599734 0.052951 0.308621
C 0.234519 -0.538916 0.536511
C -0.884882 0.465746 0.318074
C 0.029633 -1.716459 -0.445955
C 1.724069 1.385845 0.982477
C -0.643259 1.838877 0.259445
C 0.759746 2.370317 0.308226
C -2.202945 -0.057657 0.186891
C -1.307642 -2.347603 -0.188054
C -2.403168 -1.518864 0.160811
C 2.669304 -0.881584 0.800949
C -1.709298 2.750908 0.106624
C -3.253689 0.854765 0.031174
C -2.997928 2.256006 0.002780
C -1.473990 -3.732333 -0.276834
C -3.636507 -2.115058 0.457473
C 4.028218 -0.439957 0.311356
C -2.717761 -4.309813 0.001958
C -3.792714 -3.502960 0.378060
C 4.212579 -0.053120 -1.025019
C 5.122006 -0.448812 1.189296
C 5.480111 0.319887 -1.476833
C 6.389599 -0.077994 0.730357
C -4.026624 4.404033 -0.412773
C 6.571531 0.306469 -0.601260
H 0.128604 -0.922998 1.590787
H 0.856370 -2.448078 -0.353851
H 0.081113 -1.344030 -1.492968
H 2.770825 1.743665 0.857469
H 1.524332 1.340338 2.074738
H 1.096927 2.558635 -0.736905
H 0.803430 3.346602 0.828545
H 2.462468 -1.898108 0.380985
H 2.663403 -0.996965 1.907627
H -1.507952 3.816642 0.072098
H -0.636962 -4.365982 -0.561279
H -4.488274 -1.494372 0.751052
H -2.842484 -5.388454 -0.070657
H -4.757746 -3.950174 0.607143
H 3.355120 -0.035610 -1.700211
H 4.991139 -0.744539 2.227709
H -5.169845 1.138327 -0.295970
H 5.618925 0.620771 -2.513779
H 7.236637 -0.088763 1.413827
H -3.564134 4.913965 0.437597
H -5.073176 4.711344 -0.535363
H -3.459333 4.552785 -1.336166
H 7.558446 0.594462 -0.956100


%chk=000216078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216078

0 1
O -4.625059 0.425730 -0.159153
O -4.232204 2.999985 -0.265154
N 1.595106 0.085363 0.366612
C 0.244941 -0.527803 0.500188
C -0.896195 0.473341 0.274772
C 0.033262 -1.695641 -0.493860
C 1.677279 1.418046 1.016039
C -0.660959 1.863148 0.200978
C 0.753846 2.408639 0.299438
C -2.225402 -0.067068 0.147730
C -1.294539 -2.366340 -0.191701
C -2.415653 -1.544386 0.148770
C 2.674663 -0.804756 0.863805
C -1.747256 2.759142 0.021112
C -3.293972 0.848669 -0.018847
C -3.046243 2.249231 -0.082536
C -1.433062 -3.770618 -0.228601
C -3.652583 -2.176758 0.455541
C 4.057077 -0.413446 0.347242
C -2.669158 -4.386976 0.070579
C -3.776705 -3.581770 0.419289
C 4.225193 0.056877 -0.979902
C 5.200777 -0.563349 1.169456
C 5.511568 0.364450 -1.474995
C 6.490633 -0.260331 0.675313
C -4.104807 4.451202 -0.385881
C 6.650724 0.204198 -0.650393
H 0.116448 -0.947272 1.536447
H 0.848955 -2.436892 -0.431523
H 0.049103 -1.276108 -1.520164
H 2.724853 1.762031 0.957188
H 1.403261 1.357087 2.100705
H 1.157427 2.594221 -0.715826
H 0.755859 3.378593 0.833479
H 2.454926 -1.835272 0.529454
H 2.696164 -0.839586 1.983064
H -1.553299 3.835434 -0.031725
H -0.563644 -4.385801 -0.491512
H -4.516981 -1.562072 0.710523
H -2.763803 -5.478318 0.038875
H -4.739473 -4.045838 0.661446
H 3.332550 0.187615 -1.601835
H 5.082566 -0.916902 2.201924
H -5.177592 1.238613 -0.322173
H 5.627805 0.727733 -2.502833
H 7.366012 -0.381063 1.323878
H -3.675129 4.887709 0.536026
H -5.128013 4.826628 -0.533734
H -3.475685 4.721596 -1.255530
H 7.649123 0.442384 -1.034597


