%chk=000127621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000127621

1 1
N -4.234270 0.038003 0.160265
N -0.789728 1.040085 -0.003455
N 1.297128 -0.001889 -0.801264
C -3.714330 1.469417 0.362541
C -2.891853 2.016234 -0.810343
C -3.094738 -0.933245 -0.040925
C -5.004439 -0.366570 1.402025
C -5.165638 -0.019947 -1.030155
C -1.426955 2.301270 -0.423351
C 0.352689 0.658880 -0.364509
C 2.641859 -0.192228 -0.372120
C 3.108439 0.253848 0.877832
C 3.487622 -0.871730 -1.267291
C 4.439200 0.012532 1.225498
C 4.814760 -1.099933 -0.897697
C 5.290959 -0.660714 0.342583
H -4.586624 2.134239 0.559240
H -3.091148 1.479363 1.294163
H -2.912470 1.338795 -1.688857
H -3.348463 2.965327 -1.170216
H -2.344805 -0.853390 0.776133
H -3.442744 -1.978237 -0.091191
H -2.525868 -0.716277 -0.967477
H -5.853055 0.312988 1.602793
H -5.420742 -1.388190 1.311613
H -4.356749 -0.364169 2.300354
H -6.027628 0.662284 -0.911118
H -4.648117 0.266512 -1.966199
H -5.570384 -1.038160 -1.185407
H -1.380011 3.016306 0.433933
H -0.911257 2.801243 -1.276251
H 2.449726 0.775755 1.567969
H 3.110290 -1.212204 -2.232354
H 4.815929 0.352431 2.191753
H 5.483487 -1.624725 -1.582943
H 6.329728 -0.843701 0.621932


%chk=000127621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127621

1 1
N -4.605058 0.015972 0.140171
N -0.545680 0.748437 -0.468072
N 1.795662 0.024116 -0.809062
C -3.303238 0.854869 0.238748
C -2.807639 1.481620 -1.073087
C -4.377803 -1.227179 -0.719142
C -4.984662 -0.428555 1.553134
C -5.741874 0.847320 -0.446367
C -1.330482 1.920491 -0.885188
C 0.676088 0.493920 -0.611432
C 3.095288 -0.056197 -0.269458
C 3.429003 0.553708 0.970714
C 4.076647 -0.770286 -1.001934
C 4.743737 0.442634 1.468068
C 5.388195 -0.874488 -0.493306
C 5.726670 -0.270221 0.740205
H -3.501711 1.633513 0.997389
H -2.517346 0.175407 0.615300
H -2.828532 0.751797 -1.902123
H -3.406548 2.363341 -1.363751
H -3.527256 -1.792821 -0.310039
H -5.289022 -1.844681 -0.699244
H -4.158341 -0.926452 -1.752662
H -5.175623 0.461466 2.171708
H -5.890058 -1.053050 1.506867
H -4.152062 -1.006790 1.981459
H -5.870264 1.756972 0.159969
H -5.496029 1.121569 -1.481805
H -6.667587 0.251503 -0.429822
H -1.269731 2.715385 -0.113669
H -0.964405 2.355269 -1.835061
H 2.665852 1.106164 1.530894
H 3.798586 -1.229853 -1.955055
H 5.003073 0.912929 2.422552
H 6.145735 -1.425502 -1.059875
H 6.746215 -0.352120 1.130481


