%chk=000187770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187770

0 1
O -1.647687 -0.147198 1.835109
N 2.176705 -0.292426 0.215147
C -1.647703 -0.188555 0.380216
C -0.246250 -0.572336 -0.138457
C -2.752652 -1.134497 -0.084421
C -1.995869 1.245268 -0.015541
C 0.841181 0.336489 0.455581
C -2.606458 -1.984187 -1.186885
C -1.986988 2.272787 0.936880
C -3.970466 -1.118344 0.616284
C -2.312700 1.536720 -1.350717
C 3.281389 0.531026 0.803809
C -1.318648 -1.377466 2.509842
C -3.662548 -2.814994 -1.578737
C -2.290070 3.583147 0.556173
C -5.021895 -1.948051 0.224751
C -2.612278 2.848347 -1.727188
C 4.616346 0.059852 0.280085
C -4.869333 -2.800017 -0.875185
C -2.600611 3.873716 -0.775610
C 4.970610 -1.294973 0.372768
C 5.515081 0.975714 -0.285195
C 6.213084 -1.727180 -0.096119
C 6.759334 0.538449 -0.749594
C 7.110427 -0.811539 -0.656599
H -0.026040 -1.629574 0.118986
H -0.226593 -0.517989 -1.243311
H 0.751181 1.362499 0.036710
H 0.686290 0.430769 1.556205
H 2.333978 -0.399089 -0.794143
H -1.676182 -2.010130 -1.751659
H -1.748608 2.040852 1.977974
H -4.080445 -0.448466 1.472559
H -2.336305 0.740968 -2.093920
H 3.249112 0.387855 1.910972
H 3.151390 1.622679 0.629950
H -0.264523 -1.627466 2.351284
H -1.972159 -2.191993 2.184545
H -1.505767 -1.122194 3.559631
H -3.540734 -3.474367 -2.436211
H -2.285185 4.377479 1.300248
H -5.962057 -1.929605 0.773169
H -2.858916 3.071185 -2.763583
H -5.689070 -3.446572 -1.181888
H -2.835755 4.893966 -1.071151
H 4.265513 -2.005405 0.806612
H 5.250113 2.027879 -0.363862
H 6.483842 -2.779088 -0.023911
H 7.455523 1.252650 -1.185523
H 8.078696 -1.149596 -1.018978


%chk=000187770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187770

0 1
O -1.648664 -0.170639 1.931786
N 2.183588 -0.051125 -0.003988
C -1.666481 -0.162209 0.438788
C -0.247965 -0.490463 -0.110281
C -2.748179 -1.151908 -0.051871
C -2.059966 1.280742 0.055176
C 0.856867 0.420468 0.455104
C -2.493368 -2.208331 -0.959761
C -2.110804 2.318195 1.016632
C -4.066909 -0.994160 0.452368
C -2.353927 1.583081 -1.298932
C 3.325001 0.712499 0.548717
C -1.320870 -1.458178 2.549016
C -3.531219 -3.084838 -1.358041
C -2.446919 3.635986 0.628337
C -5.101122 -1.868477 0.062785
C -2.682873 2.899432 -1.687749
C 4.667438 0.119500 0.133979
C -4.837301 -2.919973 -0.848607
C -2.730072 3.934172 -0.723734
C 4.841037 -1.285688 0.046651
C 5.771728 0.963271 -0.143892
C 6.095161 -1.833438 -0.303375
C 7.029572 0.417371 -0.489317
C 7.195537 -0.984472 -0.570117
H 0.021512 -1.538706 0.119126
H -0.269224 -0.398790 -1.214736
H 0.651324 1.481214 0.176067
H 0.838097 0.376550 1.560780
H 2.235430 -0.096062 -1.032510
H -1.488060 -2.361723 -1.365128
H -1.892577 2.078507 2.060311
H -4.266663 -0.179303 1.157025
H -2.346508 0.782577 -2.048858
H 3.230959 0.676624 1.654431
H 3.303647 1.796631 0.273819
H -0.276156 -1.764865 2.341817
H -2.009807 -2.259038 2.216387
H -1.441707 -1.297276 3.632285
H -3.316112 -3.895783 -2.063334
H -2.486489 4.429509 1.383648
H -6.112034 -1.730900 0.463062
H -2.910600 3.115956 -2.737784
H -5.640103 -3.599447 -1.156362
H -2.989935 4.955985 -1.022889
H 3.978986 -1.930071 0.249629
H 5.646780 2.052418 -0.090742
H 6.216378 -2.921216 -0.366911
H 7.874261 1.083187 -0.700651
H 8.168615 -1.409800 -0.841054


