%chk=000223431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223431

0 1
O -3.140043 -0.628218 -0.534899
O 3.233889 -0.245880 -0.416867
O -1.328378 1.303729 -0.610539
O -3.799726 -0.045767 1.548891
O 4.491487 1.130883 0.860588
N 0.358591 0.080273 0.318883
C -1.830658 -1.014343 -0.040531
C 1.343665 1.176768 0.207743
C -0.938712 0.238813 -0.171646
C 2.408188 0.874225 -0.849747
C -1.395311 -2.139828 -0.958783
C -5.213994 0.438209 -0.416518
C -4.035548 -0.063627 0.366502
C 4.975884 -1.282079 0.755025
C 4.275616 0.015262 0.456401
C -6.512052 0.219489 0.346216
C 6.486582 -1.098913 0.701257
H -1.923406 -1.324432 1.028520
H 0.813324 2.129806 -0.050260
H 1.822743 1.337708 1.202595
H 0.734230 -0.823840 0.582006
H 1.988848 0.490072 -1.797705
H 3.054818 1.751267 -1.038065
H -0.414172 -2.544236 -0.689908
H -2.121725 -2.965794 -0.928082
H -1.354339 -1.806941 -2.007326
H -5.049183 1.522397 -0.620868
H -5.249295 -0.044506 -1.418516
H 4.659857 -1.628264 1.764094
H 4.648752 -2.073865 0.045514
H -6.747665 -0.846676 0.454038
H -6.458461 0.643637 1.360223
H -7.356153 0.695362 -0.167454
H 6.833385 -0.863565 -0.313194
H 6.816200 -0.277591 1.355367
H 7.006663 -2.008736 1.024948


%chk=000223431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223431

0 1
O -2.567833 -0.321489 -0.818053
O 2.673154 -0.783184 -0.340810
O -0.903239 0.936576 -3.433304
O -0.901786 -1.266165 0.516784
O 3.268776 1.144918 0.833583
N 0.393490 -0.113986 -1.798067
C -1.922268 -0.869934 -2.076245
C 1.578129 0.738948 -1.959597
C -0.769258 0.081101 -2.506943
C 2.849974 -0.055868 -1.634121
C -3.028441 -0.950206 -3.117354
C -2.820802 -0.090340 1.553103
C -1.980662 -0.625181 0.406173
C 2.503158 -0.884652 2.047426
C 2.868204 -0.039686 0.839655
C -2.100169 -0.162909 2.910974
C 2.756919 -0.161304 3.381653
H -1.510386 -1.863249 -1.814550
H 1.607102 1.105838 -3.001231
H 1.515039 1.624814 -1.297853
H 0.376752 -0.767017 -1.001525
H 3.028824 -0.862888 -2.361084
H 3.721225 0.617869 -1.563371
H -2.640755 -1.423866 -4.036188
H -3.873551 -1.547532 -2.736156
H -3.374778 0.060907 -3.383017
H -3.120278 0.944053 1.302970
H -3.761777 -0.675152 1.575240
H 1.437350 -1.168341 1.937259
H 3.070849 -1.832497 1.986186
H -1.800153 -1.198335 3.145136
H -1.187124 0.458009 2.911841
H -2.764525 0.199945 3.714450
H 3.823736 0.094050 3.501897
H 2.185159 0.781086 3.435843
H 2.453845 -0.803535 4.227199


