%chk=000240058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240058

0 1
O 4.480968 0.617265 0.651813
O 1.167591 1.590197 -1.082477
N -0.227680 -0.194011 -0.515310
N 2.003730 -0.559208 -1.259860
C -2.631333 -0.248307 0.008644
C -1.436331 0.528478 -0.257421
C -3.831382 0.451718 0.301474
C -1.476519 1.908898 -0.232514
C -2.661699 -1.678189 -0.010704
C -3.840838 1.881324 0.323212
C -5.027450 -0.290131 0.571627
C -2.690985 2.582134 0.060570
C 3.387200 -0.036985 -1.419127
C -3.820424 -2.366263 0.250186
C 0.992610 0.394175 -0.936773
C -5.022046 -1.661283 0.547103
C 4.257987 -0.412695 -0.277828
C 4.914346 -1.553666 0.112590
C 5.589571 -1.242915 1.348109
C 5.306042 0.067106 1.635580
H -0.581320 2.507109 -0.439669
H -1.747088 -2.226623 -0.238461
H -4.771795 2.396263 0.549232
H -0.314059 -1.214923 -0.519434
H -5.939630 0.261487 0.796210
H 3.359978 1.081714 -1.543647
H 3.793935 -0.453145 -2.374329
H -2.685310 3.672889 0.071727
H -3.840658 -3.454361 0.234138
H 1.959854 -1.490730 -0.847656
H -5.928063 -2.230034 0.751558
H 4.946774 -2.501367 -0.387811
H 6.194213 -1.927225 1.911292
H 5.554713 0.759102 2.409251


%chk=000240058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240058

0 1
O 4.300436 -0.125113 1.196718
O 1.133118 1.844160 -0.994935
N -0.283043 0.035223 -0.405782
N 1.991470 -0.319192 -0.825473
C -2.692234 -0.155864 0.047968
C -1.552075 0.666853 -0.321710
C -3.998688 0.470653 0.127295
C -1.726815 2.035996 -0.585557
C -2.601863 -1.559035 0.340834
C -4.140423 1.868553 -0.153077
C -5.136347 -0.325509 0.488195
C -3.021487 2.625113 -0.499900
C 3.370693 0.116341 -1.101446
C -3.728353 -2.308864 0.690699
C 0.950860 0.612379 -0.757093
C -5.012614 -1.687248 0.765156
C 4.376760 -0.485399 -0.168894
C 5.448602 -1.346911 -0.352126
C 6.076809 -1.540069 0.940134
C 5.353882 -0.789372 1.850259
H -0.857135 2.638013 -0.852948
H -1.641357 -2.089131 0.301957
H -5.133604 2.326927 -0.088593
H -0.270324 -0.958251 -0.176473
H -6.116096 0.163889 0.543075
H 3.355047 1.219872 -1.031718
H 3.669322 -0.143113 -2.136081
H -3.124002 3.694874 -0.712402
H -3.627103 -3.377414 0.909595
H 1.829089 -1.314396 -0.666304
H -5.890971 -2.281166 1.039596
H 5.756937 -1.787854 -1.298551
H 6.947925 -2.154100 1.159322
H 5.428486 -0.613048 2.919559


