%chk=000182390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182390

0 1
O 4.050127 -1.326899 -0.258899
O 4.339805 0.972567 0.256366
N -1.812240 1.194756 0.322604
C -1.952667 0.136339 -0.734577
C -3.452249 -0.251464 -0.643126
C -0.920686 -0.978646 -0.472662
C -4.133112 1.122652 -0.398165
C -3.752343 -1.234020 0.500455
C -3.058423 2.029738 0.246964
C -1.322196 -1.852981 0.730030
C -2.746281 -2.390373 0.543491
C 0.453463 -0.373017 -0.259703
C -0.536208 1.945117 0.164892
C 0.627308 0.984333 0.045011
C 1.568923 -1.246468 -0.385585
C 1.921054 1.542253 0.240515
C 2.811818 -0.695989 -0.192427
C 2.986225 0.684804 0.117233
C 5.045447 -0.291344 0.028648
H -1.757944 0.543509 -1.762360
H -3.788391 -0.692444 -1.604506
H -0.889221 -1.627045 -1.385703
H -5.017443 1.027845 0.251197
H -4.491087 1.552519 -1.347352
H -4.781146 -1.622799 0.401162
H -3.712732 -0.690418 1.468040
H -2.935611 2.970749 -0.321236
H -3.327965 2.301784 1.287992
H -1.266979 -1.242916 1.656065
H -0.605768 -2.682943 0.858248
H -2.812779 -2.993984 -0.380729
H -3.000109 -3.075225 1.374520
H -0.415490 2.573432 1.079123
H -0.525822 2.637956 -0.708305
H 1.437810 -2.298943 -0.620579
H 2.056628 2.592691 0.479527
H 5.672796 -0.170151 -0.863803
H 5.556292 -0.564375 0.961137


%chk=000182390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182390

0 1
O 4.121563 -1.282381 -0.461233
O 4.395703 1.007999 0.199042
N -1.854129 1.197458 0.290083
C -1.981351 0.131142 -0.735660
C -3.477473 -0.261647 -0.620047
C -0.941959 -0.982958 -0.485622
C -4.169730 1.123546 -0.419187
C -3.754684 -1.220507 0.565073
C -3.067509 2.050153 0.191004
C -1.322561 -1.879529 0.727257
C -2.767378 -2.406789 0.598058
C 0.450640 -0.376205 -0.308260
C -0.577425 1.919992 0.238565
C 0.617210 0.981965 0.079023
C 1.592189 -1.213172 -0.501453
C 1.920854 1.526344 0.281184
C 2.852833 -0.662057 -0.290403
C 3.014620 0.684909 0.096197
C 5.099028 -0.294981 0.066039
H -1.800496 0.547168 -1.764305
H -3.810863 -0.744132 -1.559509
H -0.930360 -1.633993 -1.386200
H -5.049371 1.032994 0.242165
H -4.521328 1.532478 -1.383234
H -4.801298 -1.578840 0.503101
H -3.656981 -0.656153 1.513123
H -2.889959 2.926721 -0.480796
H -3.343666 2.447914 1.185556
H -1.230588 -1.282572 1.654674
H -0.601442 -2.716517 0.801643
H -2.867449 -3.011331 -0.328423
H -3.005838 -3.076982 1.446390
H -0.460929 2.519044 1.163357
H -0.562652 2.654268 -0.614894
H 1.475458 -2.255942 -0.811690
H 2.057161 2.572529 0.571922
H 5.922713 -0.185261 -0.655731
H 5.440247 -0.624075 1.066693


