%chk=000226148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226148

0 1
O 4.394105 1.707356 0.954700
N 2.062612 0.609062 -0.038637
N 3.103386 0.947019 -0.872543
N 5.283849 1.846164 -1.160140
C -0.186991 -0.107297 0.416122
C -0.668581 -1.522622 0.161877
C -1.276734 0.943642 0.309734
C 0.909959 0.299216 -0.552963
C -1.967522 -1.901886 0.536325
C -1.394528 1.918012 1.311062
C 0.195347 -2.482341 -0.386758
C -2.145982 0.970857 -0.791778
C -2.400495 -3.215743 0.343504
C -2.378289 2.906507 1.213151
C -0.242726 -3.795876 -0.578679
C -3.127255 1.960484 -0.884638
C -1.541438 -4.165807 -0.218107
C -3.245903 2.929773 0.117163
C 4.263932 1.506075 -0.230239
H 0.227601 -0.105694 1.468770
H 0.616388 0.308021 -1.608798
H -2.644070 -1.171183 0.980289
H -0.715793 1.912402 2.163864
H 1.217145 -2.215793 -0.653561
H -2.061471 0.212406 -1.568820
H -3.410501 -3.500306 0.634575
H -2.465826 3.661090 1.993578
H 0.434082 -4.533670 -1.006576
H -3.801746 1.976589 -1.739091
H -1.880762 -5.188227 -0.368358
H -4.010895 3.699886 0.043031
H 2.938157 1.145854 -1.867402
H 5.373897 1.349595 -2.032572
H 6.178247 2.090336 -0.745186


%chk=000226148-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226148

0 1
O 4.680096 1.309232 0.975199
N 2.090502 0.620096 0.085612
N 3.096807 1.039535 -0.766648
N 5.244004 1.847155 -1.223922
C -0.210517 -0.129275 0.459579
C -0.695897 -1.565119 0.178035
C -1.299377 0.948930 0.333942
C 0.944777 0.273200 -0.442561
C -2.014710 -1.969246 0.511784
C -1.422898 1.953316 1.325481
C 0.196016 -2.536646 -0.343328
C -2.147367 1.005118 -0.803258
C -2.431679 -3.304654 0.319405
C -2.378312 2.986456 1.192286
C -0.219759 -3.872772 -0.541031
C -3.100195 2.037775 -0.940991
C -1.537507 -4.262829 -0.212121
C -3.220174 3.033184 0.057387
C 4.363845 1.393958 -0.236874
H 0.184017 -0.100173 1.494388
H 0.740771 0.291595 -1.534136
H -2.717486 -1.235636 0.922195
H -0.764157 1.927797 2.202073
H 1.227479 -2.249849 -0.579298
H -2.074278 0.226861 -1.572705
H -3.453579 -3.597734 0.586082
H -2.463960 3.752112 1.971583
H 0.485455 -4.608382 -0.944649
H -3.750247 2.065774 -1.823040
H -1.862228 -5.298467 -0.362981
H -3.961108 3.833723 -0.047187
H 2.931711 1.088669 -1.783240
H 4.994404 1.984373 -2.201185
H 6.176748 2.105821 -0.912978


