%chk=000186532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186532

0 1
O -2.658678 2.883988 0.000367
O 5.381946 1.495356 -0.000746
O 3.661600 2.788034 0.001362
N 4.171238 1.678683 0.000187
C -0.273435 -0.694149 0.000044
C 1.173165 -0.701048 0.000062
C -0.993135 0.517309 0.000050
C -0.981426 -1.951927 0.000015
C 1.894474 0.527945 0.000079
C -2.433105 0.496968 0.000081
C 1.879355 -1.942369 0.000066
C -3.110268 -0.754939 0.000008
C -2.357376 -1.968454 -0.000020
C -0.228821 1.742907 -0.000010
C 1.130622 1.749377 -0.000008
C -0.218054 -3.196653 0.000017
C 1.130654 -3.192883 0.000045
C 3.316082 0.475399 0.000128
C 3.277900 -1.952885 0.000079
C -3.283587 1.659898 0.000202
C 3.988991 -0.753548 0.000098
C -4.539615 -0.820879 -0.000021
C -4.664585 1.592387 0.000208
C -5.295784 0.324683 0.000074
H -2.902081 -2.913540 -0.000060
H -0.761664 2.702185 -0.000069
H 1.671138 2.706640 -0.000051
H -0.784982 -4.129667 -0.000004
H 1.704462 -4.120852 0.000054
H 3.820679 -2.898536 0.000075
H 5.087789 -0.768451 0.000086
H -5.015190 -1.799901 -0.000119
H -5.273131 2.491359 0.000332
H -6.385311 0.280171 0.000053
H -3.307365 3.634893 0.000437


%chk=000186532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186532

0 1
O -2.738915 2.969200 0.000139
O 5.541293 1.440922 -0.001118
O 3.758296 2.844961 0.001660
N 4.259627 1.649070 0.000211
C -0.262491 -0.687246 0.000093
C 1.182262 -0.692787 0.000107
C -1.000907 0.548876 0.000110
C -0.973504 -1.954906 0.000051
C 1.926007 0.554966 0.000196
C -2.460388 0.526004 0.000093
C 1.885374 -1.956621 0.000035
C -3.141492 -0.760081 0.000063
C -2.374489 -1.960528 0.000043
C -0.228139 1.763462 0.000134
C 1.160855 1.772996 0.000201
C -0.233150 -3.197695 0.000016
C 1.144584 -3.198350 0.000004
C 3.365837 0.467454 0.000127
C 3.303927 -1.971806 -0.000018
C -3.318973 1.686906 0.000109
C 4.034118 -0.777432 -0.000003
C -4.572971 -0.849353 0.000052
C -4.719223 1.575911 0.000100
C -5.353027 0.303975 0.000071
H -2.906753 -2.919641 0.000018
H -0.756772 2.714784 0.000121
H 1.691525 2.723328 0.000306
H -0.794815 -4.138766 -0.000010
H 1.706457 -4.138761 -0.000035
H 3.829599 -2.932538 -0.000062
H 5.126200 -0.776545 -0.000084
H -5.038450 -1.840443 0.000029
H -5.331833 2.487338 0.000114
H -6.445726 0.244180 0.000065
H -3.441441 3.666669 0.000163


