%chk=000115444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115444

0 1
O -0.706462 -2.274144 0.425252
N -1.764421 -0.625678 -0.721907
N -3.609969 0.972420 0.869225
C -1.990949 0.813371 -1.059020
C -3.144669 -1.138114 -0.434852
C -3.197720 0.729434 -2.031492
C -3.951253 -0.560965 -1.625863
C -2.364755 1.552161 0.254888
C -3.599979 -0.531582 0.918485
C -0.621271 -1.193917 -0.146946
C -3.793717 1.520769 2.246723
C 0.663875 -0.472874 -0.352798
C 1.767292 -0.869504 0.295593
C 3.080548 -0.220242 0.155926
C 3.552205 0.203155 -1.097267
C 3.880012 -0.034321 1.297652
C 4.806447 0.810257 -1.204641
C 5.128456 0.580531 1.184509
C 5.594047 1.002944 -0.065712
H -1.094862 1.271843 -1.526951
H -3.151202 -2.249402 -0.390381
H -2.856945 0.679405 -3.077082
H -3.848065 1.614415 -1.935365
H -4.990521 -0.339356 -1.333036
H -3.988206 -1.279984 -2.459195
H -1.491582 1.538662 0.941099
H -2.588467 2.617619 0.031677
H -4.641684 -0.849597 1.137484
H -2.957079 -0.941292 1.727935
H -4.749641 1.151152 2.652438
H -3.873442 2.618076 2.189415
H -2.995906 1.267316 2.960561
H 0.660486 0.364203 -1.049174
H 1.730284 -1.723645 0.988710
H 2.944903 0.046939 -1.987906
H 3.523542 -0.365775 2.272078
H 5.170435 1.132748 -2.179091
H 5.742733 0.728379 2.071617
H 6.569698 1.478193 -0.151188


%chk=000115444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115444

0 1
O -0.555339 -2.177599 0.774481
N -1.725409 -0.566063 -0.417509
N -3.821193 1.042273 0.717847
C -2.042367 0.767916 -0.993199
C -3.057133 -1.163690 -0.135952
C -3.156493 0.422022 -2.025985
C -3.832744 -0.869843 -1.451537
C -2.589425 1.650261 0.164197
C -3.658278 -0.392512 1.069038
C -0.547404 -1.087828 0.102580
C -4.424387 1.838563 1.799294
C 0.711865 -0.343288 -0.190406
C 1.899656 -0.789893 0.317599
C 3.234644 -0.201645 0.130934
C 3.478082 0.959583 -0.660552
C 4.346668 -0.821327 0.771011
C 4.780040 1.477145 -0.801597
C 5.651435 -0.303973 0.630526
C 5.874568 0.848951 -0.156896
H -1.163845 1.246353 -1.452926
H -2.942261 -2.230249 0.108763
H -2.708231 0.229601 -3.016480
H -3.875811 1.252410 -2.117256
H -4.903975 -0.707980 -1.247851
H -3.728812 -1.717081 -2.151289
H -1.780554 1.760158 0.932781
H -2.836796 2.661594 -0.212456
H -4.653977 -0.802479 1.323714
H -2.988416 -0.544995 1.951107
H -5.392048 1.392944 2.092946
H -4.615436 2.867719 1.443988
H -3.783782 1.903305 2.714627
H 0.664113 0.552325 -0.819850
H 1.838252 -1.697117 0.936919
H 2.645131 1.457668 -1.169440
H 4.176092 -1.716064 1.382165
H 4.948050 2.369823 -1.414689
H 6.491339 -0.797280 1.132058
H 6.886379 1.253891 -0.269303


