%chk=000231104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231104

0 1
O 1.993572 -1.883147 0.700300
O -2.093154 -1.606590 1.208651
O 3.445338 -0.633339 2.347776
O -3.660077 -2.271360 -0.658921
N 1.245988 3.543989 -2.175686
C 0.639402 2.284258 -1.661459
C -0.776344 2.600908 -1.109894
C 1.465308 1.570671 -0.598532
C -1.604178 1.349887 -1.007605
C 1.386148 0.160139 -0.541240
C 2.236184 2.257904 0.331063
C -1.482337 0.530646 0.138296
C -2.453780 0.972229 -2.043698
C 2.040406 -0.528120 0.468854
C -2.170662 -0.671572 0.201429
C 2.945040 1.567489 1.334785
C 2.847875 0.185985 1.415616
C -3.186870 -0.227890 -1.973457
C -3.045715 -1.054270 -0.867223
C 1.133952 -2.671840 -0.162946
C -1.228945 -1.298489 2.332171
C 4.330379 -0.003136 3.305440
C -4.624828 -2.696231 -1.651388
H 0.528886 1.608237 -2.555695
H -0.702039 3.104018 -0.126123
H -1.264304 3.339618 -1.782539
H 0.782210 -0.369474 -1.276419
H 2.301882 3.343159 0.311260
H 2.187458 3.372769 -2.519446
H 1.317232 4.249328 -1.448674
H -0.827143 0.845344 0.947901
H -2.558069 1.600049 -2.926573
H 3.550667 2.131027 2.038263
H -3.849147 -0.492600 -2.792469
H 1.482074 -2.622183 -1.197477
H 0.089370 -2.350955 -0.064067
H 1.274060 -3.678392 0.252025
H -1.572152 -0.395487 2.842953
H -0.186076 -1.213237 2.003503
H -1.368344 -2.185255 2.963812
H 5.168045 0.478786 2.793789
H 4.672857 -0.868834 3.888174
H 3.776022 0.698201 3.934619
H -4.137047 -2.848933 -2.617764
H -5.448195 -1.979613 -1.717390
H -4.968045 -3.649698 -1.228496


%chk=000231104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231104

0 1
O 2.173839 -2.009852 0.477998
O -2.354400 -1.438541 1.471645
O 3.603573 -0.732299 2.312249
O -3.835318 -2.286062 -0.557641
N 1.243134 3.615920 -2.081978
C 0.678651 2.316444 -1.654630
C -0.782063 2.583297 -1.144330
C 1.512916 1.547079 -0.614065
C -1.630886 1.331502 -0.996413
C 1.492612 0.127112 -0.604794
C 2.268065 2.215347 0.371668
C -1.620274 0.579280 0.209210
C -2.413610 0.862370 -2.073073
C 2.179755 -0.613028 0.379818
C -2.346817 -0.623347 0.332392
C 2.979744 1.488310 1.357329
C 2.942658 0.077253 1.377322
C -3.164470 -0.333350 -1.961090
C -3.138481 -1.087458 -0.767950
C 1.361284 -2.745117 -0.496859
C -1.516292 -1.020799 2.599964
C 4.409822 -0.051757 3.325664
C -4.676282 -2.765670 -1.654668
H 0.590088 1.682658 -2.559449
H -0.714149 3.125536 -0.179406
H -1.240473 3.268704 -1.881396
H 0.904267 -0.394856 -1.366137
H 2.315205 3.310363 0.377571
H 2.214955 3.553979 -2.406108
H 1.130512 4.361896 -1.385481
H -1.010041 0.934683 1.044782
H -2.444730 1.432227 -3.009146
H 3.562986 2.031238 2.107577
H -3.769222 -0.668671 -2.809148
H 1.728384 -2.584503 -1.529548
H 0.293778 -2.457949 -0.432006
H 1.479307 -3.803307 -0.221411
H -1.844078 -0.043513 3.005668
H -0.448158 -0.965273 2.312579
H -1.656200 -1.803510 3.359923
H 5.224675 0.540872 2.864620
H 4.838762 -0.859292 3.936944
H 3.788734 0.609052 3.962816
H -4.077229 -2.983507 -2.561322
H -5.470863 -2.035194 -1.905062
H -5.130767 -3.694269 -1.279132


