%chk=000202021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202021

0 1
N 1.677935 0.585810 0.073301
N 4.554266 0.246970 0.191906
N -5.259853 -1.523322 0.549003
N -3.025138 -0.727580 0.227383
N -4.744791 0.720814 1.190241
N -2.405264 1.463830 1.045886
N -4.070950 2.814215 2.053625
C 2.297087 -0.525404 0.867221
C 2.598580 1.769375 0.073380
C 3.634983 -0.933537 0.218969
C 3.938834 1.372559 -0.578311
C 0.328665 0.954575 0.612943
C -7.066336 -2.134192 -1.681821
C -7.338743 -0.962282 -0.729050
C -5.566877 -2.452258 -1.756149
C -6.717416 -1.213853 0.654280
C -4.974174 -2.677420 -0.355921
C -0.703059 -0.016751 0.015166
C 5.942021 -0.001822 0.000905
C -4.339881 -0.481153 0.622459
C -2.109808 0.261671 0.461712
C 6.505104 -1.249990 0.359808
C 6.805709 1.032487 -0.432628
C -3.737868 1.641312 1.408604
C 7.883075 -1.442837 0.292097
C 8.180912 0.818241 -0.492926
C 8.731107 -0.416738 -0.136080
H 1.604696 -1.394687 0.852080
H 2.463662 -0.254538 1.933277
H 2.782158 2.175541 1.092288
H 2.129385 2.577473 -0.528560
H 4.097062 -1.750043 0.818940
H 3.454949 -1.331201 -0.805105
H 3.773776 1.092925 -1.643247
H 4.624282 2.250129 -0.564716
H 0.272847 0.941715 1.722587
H 0.071715 1.994046 0.305815
H -7.624898 -3.029399 -1.346885
H -7.450256 -1.894889 -2.691507
H -6.928010 -0.024664 -1.154414
H -8.426865 -0.797283 -0.623851
H -5.394243 -3.347867 -2.381207
H -5.027618 -1.623506 -2.257455
H -7.196822 -2.087382 1.149885
H -6.876565 -0.336098 1.322447
H -3.874757 -2.853183 -0.418676
H -5.418453 -3.578773 0.121857
H -0.438619 -1.071055 0.256569
H -0.659930 0.030354 -1.098874
H 5.867120 -2.060639 0.705262
H 6.402718 2.005117 -0.706491
H 8.303015 -2.407744 0.575685
H 8.834202 1.625109 -0.824543
H 9.803078 -0.576366 -0.189099
H -3.395558 3.560315 2.108254
H -5.039893 3.032975 2.222378


%chk=000202021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202021

0 1
N 1.734949 0.732744 0.099555
N 4.586239 0.179627 0.166363
N -5.233817 -1.140969 0.331677
N -2.998490 -0.457397 -0.022789
N -4.724767 1.144480 0.628401
N -2.420686 1.881229 0.266116
N -4.101752 3.384400 0.898469
C 2.244523 -0.657073 0.161013
C 2.666851 1.624250 0.830666
C 3.646858 -0.766757 -0.465796
C 4.065660 1.566742 0.196366
C 0.337032 0.869508 0.577068
C -7.267021 -2.850603 -0.866618
C -7.564311 -1.376254 -0.501349
C -5.762928 -3.044309 -1.176627
C -6.655267 -0.897154 0.654942
C -4.884684 -2.536701 -0.009110
C -0.683972 0.277208 -0.421716
C 5.981646 -0.052254 0.078830
C -4.304899 -0.128249 0.312423
C -2.115345 0.580386 -0.032641
C 6.515513 -1.156241 -0.656040
C 6.911587 0.793254 0.761921
C -3.745020 2.095427 0.590576
C 7.904346 -1.405203 -0.687177
C 8.295682 0.539136 0.714819
C 8.811857 -0.563947 -0.006506
H 1.562051 -1.323445 -0.395288
H 2.293263 -1.020799 1.220432
H 2.744675 1.343345 1.912667
H 2.286980 2.660929 0.770516
H 4.009804 -1.796966 -0.307272
H 3.570015 -0.588199 -1.563675
H 4.001306 1.972208 -0.839286
H 4.746859 2.212942 0.770444
H 0.192812 0.396612 1.582317
H 0.110093 1.944479 0.687610
H -7.551398 -3.502672 -0.014136
H -7.882691 -3.165696 -1.730137
H -7.392858 -0.730298 -1.384515
H -8.623351 -1.254521 -0.202993
H -5.537931 -4.112475 -1.360029
H -5.495079 -2.487611 -2.095822
H -6.908110 -1.456569 1.581218
H -6.775885 0.178205 0.853071
H -3.813433 -2.562934 -0.257851
H -5.055888 -3.171979 0.886426
H -0.589362 -0.817212 -0.515433
H -0.476755 0.724763 -1.413037
H 5.854274 -1.813492 -1.227646
H 6.553800 1.638662 1.358157
H 8.277361 -2.260330 -1.263581
H 8.976949 1.205082 1.257824
H 9.888907 -0.758263 -0.037741
H -3.389478 4.109055 0.870615
H -5.066416 3.591003 1.143005


