%chk=000285058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285058

0 1
O 1.601975 -1.911337 -1.884691
N 4.333553 0.122445 -0.808182
N 1.539962 0.138305 -0.816017
C 4.681724 -0.778230 0.342873
C 5.553543 0.806695 -1.354032
C 5.322905 0.047089 1.469536
C 6.207460 1.652779 -0.248923
C 6.565727 0.792926 0.969149
C 3.639193 -0.650126 -1.882858
C 2.169580 -0.896370 -1.522702
C 0.179046 0.160357 -0.383087
C -2.076992 -0.779133 -0.299663
C -2.526245 0.298294 0.478541
C -0.247081 1.291298 0.433588
C -1.598918 1.349062 0.852759
C -0.709203 -0.826717 -0.723654
C -2.999450 -1.837941 -0.672613
C -4.347474 -1.765084 -0.246999
C -3.904162 0.339812 0.893563
C 0.645662 2.331035 0.822429
C -2.019035 2.457397 1.648074
C -4.778984 -0.644782 0.548234
C -2.590193 -2.955517 -1.457257
C -5.258924 -2.799186 -0.609400
C 0.214198 3.388555 1.591553
C -1.138858 3.452086 2.008714
C -3.485041 -3.945498 -1.797449
C -4.835410 -3.866848 -1.369127
H 5.359243 -1.608026 0.046993
H 3.740535 -1.244879 0.709171
H 5.231584 1.468869 -2.186981
H 6.294422 0.091155 -1.771275
H 5.583539 -0.618795 2.312963
H 4.584264 0.773038 1.864229
H 5.513934 2.461397 0.057041
H 7.109135 2.151108 -0.649963
H 6.979610 1.427393 1.774910
H 7.363394 0.072217 0.706779
H 3.657073 -0.077433 -2.839356
H 4.103554 -1.637772 -2.110148
H 2.133872 0.926513 -0.504177
H -0.386763 -1.683364 -1.334345
H -4.234501 1.187907 1.497421
H 1.690601 2.286032 0.505734
H -3.061579 2.504700 1.970117
H -5.820252 -0.608337 0.864117
H -1.547730 -3.014456 -1.785767
H -6.292586 -2.729812 -0.275602
H 0.899996 4.180607 1.885755
H -1.468705 4.294206 2.615500
H -3.167875 -4.797144 -2.396706
H -5.526518 -4.659989 -1.649367


%chk=000285058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285058

0 1
O 1.647944 -2.227889 -2.076816
N 4.296755 0.008665 -0.813088
N 1.657517 -0.246260 -0.769118
C 4.743960 -0.666624 0.442282
C 5.356587 0.892283 -1.377619
C 5.154552 0.364560 1.511757
C 5.775040 1.967604 -0.355095
C 6.242729 1.317731 0.967576
C 3.737226 -0.958268 -1.791004
C 2.231511 -1.230392 -1.553735
C 0.313599 -0.091961 -0.354998
C -2.036088 -0.857943 -0.324370
C -2.411467 0.251183 0.501920
C -0.019993 1.049730 0.485810
C -1.390846 1.214681 0.912231
C -0.669727 -1.001983 -0.736403
C -3.045060 -1.832581 -0.742947
C -4.413101 -1.658519 -0.315444
C -3.789046 0.384616 0.904596
C 0.960496 2.008017 0.899912
C -1.703857 2.341401 1.738671
C -4.751936 -0.530785 0.512999
C -2.739676 -2.964347 -1.564855
C -5.411516 -2.601310 -0.715877
C 0.618950 3.097581 1.707624
C -0.729043 3.264632 2.131566
C -3.732580 -3.876134 -1.945351
C -5.081918 -3.696981 -1.519681
H 5.606506 -1.345517 0.227713
H 3.912833 -1.296142 0.810755
H 4.957482 1.367249 -2.292967
H 6.255561 0.295391 -1.672611
H 5.515762 -0.169354 2.410976
H 4.262386 0.948316 1.814027
H 4.908753 2.629665 -0.157164
H 6.577826 2.592356 -0.790417
H 6.484635 2.095607 1.715689
H 7.175170 0.744449 0.785308
H 3.833254 -0.543796 -2.812658
H 4.257020 -1.940380 -1.790286
H 2.390584 0.426456 -0.472624
H -0.359952 -1.835497 -1.366579
H -4.093077 1.225424 1.533810
H 2.005880 1.909542 0.586807
H -2.731325 2.495209 2.078857
H -5.793816 -0.407460 0.831614
H -1.715485 -3.132744 -1.909335
H -6.444270 -2.449381 -0.379793
H 1.385031 3.819330 2.011010
H -1.003568 4.115652 2.764171
H -3.469648 -4.733368 -2.574870
H -5.851747 -4.415217 -1.822576


