%chk=000194254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194254

1 1
O -0.096562 1.153591 -0.036709
N -4.857576 0.669874 -0.015123
N 0.193510 -1.684733 0.037929
N 4.616267 1.725001 -0.053241
C -3.624179 0.109279 -0.000007
C -2.445656 0.941395 -0.026871
C -5.056602 2.149642 -0.073315
C -6.107633 -0.146082 0.025432
C -3.462942 -1.346750 0.043268
C -2.562803 2.436430 -0.067163
C -3.880201 2.894903 0.561821
C -5.881789 -1.532189 -0.580766
C -4.689784 -2.214002 0.092271
C -1.216051 0.319817 -0.013152
C -2.223290 -1.915315 0.049827
C -1.028229 -1.108176 0.024471
C 1.149499 0.558106 -0.020568
C 1.269145 -0.878512 0.016074
C 2.626837 -1.429277 0.029240
C 2.217664 1.429905 -0.043263
C 3.741859 -0.553416 0.006351
C 3.536933 0.903798 -0.030945
C 2.831642 -2.827481 0.064751
C 5.043505 -1.117071 0.020199
C 4.114537 -3.350298 0.077506
C 5.229690 -2.487851 0.055077
C 4.534643 3.215389 -0.091934
C 5.932296 3.811975 -0.109763
H -6.005028 2.412249 0.449857
H -5.177096 2.446086 -1.143503
H -6.912884 0.389560 -0.529074
H -6.440619 -0.230194 1.088411
H -1.704212 2.905266 0.461697
H -2.490391 2.785782 -1.120439
H -3.859370 2.726371 1.658770
H -4.014500 3.987981 0.430113
H -5.713376 -1.457807 -1.675628
H -6.798096 -2.147213 -0.462834
H -4.498983 -3.195717 -0.393105
H -4.927892 -2.453187 1.153048
H -2.087888 -3.003411 0.076322
H 2.031290 2.502483 -0.071030
H 1.962208 -3.494082 0.082111
H 5.920830 -0.466757 0.003279
H 5.562784 1.330082 -0.044047
H 4.269748 -4.432276 0.104979
H 6.236628 -2.909978 0.065433
H 3.963458 3.528701 -0.999770
H 3.966387 3.575562 0.800194
H 6.517913 3.557288 0.784577
H 6.515019 3.510910 -0.991506
H 5.881243 4.912948 -0.138454


%chk=000194254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194254

1 1
O -0.089151 1.174465 -0.037654
N -4.901789 0.656220 -0.021089
N 0.203765 -1.664457 0.054221
N 4.672140 1.750507 -0.065984
C -3.642016 0.102558 0.011652
C -2.479390 0.958018 -0.024233
C -5.126112 2.126780 -0.003900
C -6.143858 -0.160605 -0.094301
C -3.486633 -1.348180 0.081502
C -2.629220 2.467921 -0.067044
C -3.945896 2.885873 0.617975
C -5.883617 -1.573348 -0.635176
C -4.726398 -2.221356 0.151413
C -1.230871 0.344846 -0.003441
C -2.213267 -1.900223 0.081673
C -1.035904 -1.086809 0.043907
C 1.180651 0.586124 -0.022793
C 1.296698 -0.849094 0.021112
C 2.644350 -1.413032 0.028952
C 2.276638 1.446887 -0.052540
C 3.792793 -0.548278 -0.002446
C 3.594395 0.910447 -0.041351
C 2.823611 -2.824380 0.067477
C 5.090669 -1.140721 0.005068
C 4.109771 -3.381106 0.074354
C 5.250698 -2.533585 0.042689
C 4.603752 3.227218 -0.103803
C 6.015831 3.831894 -0.117324
H -6.053381 2.313327 0.568515
H -5.305975 2.471610 -1.043390
H -6.856353 0.379864 -0.744793
H -6.595539 -0.210471 0.918198
H -1.763198 2.946672 0.419719
H -2.627967 2.817800 -1.119274
H -3.892602 2.670977 1.701344
H -4.117669 3.970122 0.503226
H -5.631654 -1.526068 -1.710782
H -6.807686 -2.168745 -0.536103
H -4.501809 -3.229717 -0.236062
H -5.034282 -2.350542 1.209591
H -2.071921 -2.984779 0.119318
H 2.099427 2.523093 -0.083919
H 1.930904 -3.454852 0.090935
H 5.998617 -0.527410 -0.019169
H 5.609768 1.346662 -0.056675
H 4.238011 -4.467480 0.103579
H 6.255445 -2.967170 0.047279
H 4.044710 3.544237 -1.006654
H 4.042595 3.589683 0.780410
H 6.583306 3.556149 0.789827
H 6.586245 3.508886 -1.006843
H 5.951269 4.932168 -0.146393


