%chk=000213165.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213165

0 1
O 1.461302 0.723220 -0.233833
O -1.752722 -1.052715 0.561803
O 2.335734 -0.402238 1.554326
O -3.951271 -0.981263 -0.112905
N 3.629068 -0.007520 -0.355653
N -3.354404 -1.520292 2.074463
C -0.880070 1.000755 -0.445115
C -2.035576 1.893246 0.044450
C 0.273539 1.047416 0.565541
C -1.309876 -0.450494 -0.694922
C -3.161208 2.010128 -0.977237
C 2.461380 0.020922 0.421752
C -3.117892 -1.173287 0.748545
C 4.615087 -1.060866 -0.004479
C 3.540979 0.321003 -1.798250
H -0.500925 1.403167 -1.423137
H -2.437879 1.491980 0.997317
H -1.644735 2.903558 0.279862
H 0.159116 0.314592 1.388428
H 0.461652 2.053164 0.974396
H -2.110844 -0.530473 -1.452789
H -0.451057 -1.095413 -0.960681
H -2.798261 2.319803 -1.961966
H -3.694197 1.052349 -1.100447
H -3.909154 2.744476 -0.656068
H 5.627984 -0.691021 -0.236778
H 4.573490 -1.269014 1.083347
H 4.446704 -2.006918 -0.542057
H 4.540729 0.605757 -2.166590
H 3.160298 -0.511711 -2.410346
H 2.868188 1.189283 -1.940302
H -2.582326 -1.788589 2.668435
H -4.259550 -1.898103 2.316691


%chk=000213165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213165

0 1
O 1.403075 0.552527 -0.338502
O -1.746862 -1.011562 0.366338
O 2.645456 0.422693 1.653056
O -4.018868 -1.083551 -0.295303
N 3.541659 -0.317899 -0.390483
N -3.249940 -2.082730 1.683586
C -0.943387 1.195125 -0.455472
C -2.067496 2.027182 0.219858
C 0.297250 1.159371 0.450601
C -1.387339 -0.227525 -0.847594
C -3.281014 2.302566 -0.695801
C 2.554903 0.227284 0.409177
C -3.100427 -1.368712 0.514693
C 4.808170 -0.728334 0.232434
C 3.405640 -0.530194 -1.838067
H -0.658968 1.699502 -1.403732
H -2.403683 1.507185 1.138767
H -1.633479 2.992669 0.549677
H 0.125216 0.551989 1.355995
H 0.602278 2.176546 0.757553
H -2.256859 -0.213520 -1.526449
H -0.550634 -0.778509 -1.306837
H -2.965945 2.798008 -1.634210
H -3.813133 1.370020 -0.952711
H -4.003900 2.969133 -0.190991
H 5.658042 -0.173510 -0.210519
H 4.758358 -0.513292 1.310198
H 4.981353 -1.812307 0.085522
H 4.215406 -0.003489 -2.380265
H 3.471208 -1.609260 -2.081725
H 2.436928 -0.144553 -2.180775
H -2.445490 -2.275468 2.275400
H -4.174213 -2.422482 1.932383


