%chk=000189777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189777

0 1
O 3.568860 -1.896888 -1.391119
N -1.890940 0.543451 0.018825
C 0.947725 2.031444 0.157844
C -0.270877 2.236222 -0.768529
C -1.620770 2.014226 -0.057591
C 1.319686 0.559355 0.208591
C -1.807935 -0.002757 1.410854
C -0.412615 0.198886 2.033516
C 0.682417 -0.300769 1.131196
C 2.117874 2.923670 -0.274116
C -3.205687 0.186529 -0.609452
C 2.290981 0.038474 -0.657222
C 1.037345 -1.658009 1.187095
C 2.619115 -1.320112 -0.574025
C 2.013245 -2.187046 0.344881
C -3.210652 -1.278839 -0.959000
C -4.322351 -2.007905 -1.021305
H 0.660621 2.349752 1.198993
H -0.196267 1.548270 -1.636377
H -0.255476 3.259779 -1.186787
H -1.612971 2.496206 0.942510
H -2.412321 2.541055 -0.633308
H -2.013303 -1.096735 1.342916
H -2.575927 0.427463 2.089846
H -0.380791 -0.325973 3.009840
H -0.251262 1.272674 2.274460
H 1.877518 3.983358 -0.136135
H 3.016426 2.710609 0.317346
H 2.377000 2.781667 -1.329138
H -3.311521 0.763323 -1.559814
H -4.080431 0.455830 0.021953
H 2.775049 0.674954 -1.389990
H 0.538167 -2.316168 1.898323
H 2.299928 -3.233590 0.379193
H -2.222926 -1.695413 -1.180615
H 3.951288 -1.247335 -2.026376
H -4.325908 -3.051914 -1.298610
H -5.309711 -1.629146 -0.806873


%chk=000189777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189777

0 1
O 3.358471 -2.028845 -1.534585
N -1.972565 0.676289 0.123875
C 0.968995 2.060517 0.168371
C -0.305313 2.427477 -0.659690
C -1.666229 2.117979 0.014025
C 1.240200 0.547355 0.228469
C -1.905076 0.096001 1.473306
C -0.491191 0.215635 2.115948
C 0.598388 -0.294458 1.187969
C 2.174775 2.874707 -0.365296
C -3.078074 0.182214 -0.722311
C 2.162883 -0.037520 -0.676795
C 0.919807 -1.675299 1.214307
C 2.449906 -1.420360 -0.642485
C 1.835053 -2.254109 0.313854
C -2.943813 -1.295949 -1.039357
C -3.949555 -2.201976 -0.952377
H 0.787290 2.410259 1.205949
H -0.264922 1.910320 -1.638427
H -0.270800 3.519645 -0.863560
H -1.688462 2.593626 1.019639
H -2.462421 2.620420 -0.574854
H -2.163375 -0.975949 1.385731
H -2.649885 0.557121 2.174184
H -0.504182 -0.370918 3.054780
H -0.312959 1.266812 2.408940
H 2.002814 3.954512 -0.202368
H 3.113410 2.594296 0.145931
H 2.319144 2.731197 -1.453040
H -3.033251 0.744788 -1.677016
H -4.090338 0.376821 -0.283177
H 2.671127 0.594069 -1.416489
H 0.432262 -2.316878 1.959175
H 2.081118 -3.319501 0.339984
H -1.940698 -1.604656 -1.368965
H 3.733484 -1.358068 -2.157626
H -3.801755 -3.252025 -1.228144
H -4.951660 -1.916950 -0.606075


