%chk=000249516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249516

0 1
O -1.921890 -0.484845 -0.591796
O 0.635789 3.557593 -1.308997
O -2.780992 -0.267833 1.490420
N 0.595147 1.360867 -0.752474
C 1.180976 -0.000328 -0.733396
C 2.133758 -0.188017 0.459329
C -0.671283 1.553465 -0.004771
C 2.759466 -1.588257 0.449352
C -1.871364 0.966231 -0.752466
C 1.192433 2.469499 -1.367736
C 3.694822 -1.793141 1.638318
C 2.493099 2.260605 -2.089085
C -2.416912 -0.989348 0.593115
C -2.403242 -2.476309 0.525852
H 0.347832 -0.743878 -0.686147
H 1.709522 -0.195084 -1.691630
H 1.588724 -0.021663 1.409225
H 2.926964 0.583930 0.442774
H -0.836906 2.652638 0.150031
H -0.590366 1.098949 1.008913
H 3.317175 -1.747744 -0.494633
H 1.963430 -2.358666 0.465109
H -1.791766 1.060178 -1.851410
H -2.823175 1.395968 -0.391317
H 3.167626 -1.680445 2.593020
H 4.138520 -2.795299 1.626052
H 4.519276 -1.070625 1.635126
H 2.871098 3.230879 -2.452936
H 3.269670 1.829627 -1.444375
H 2.378921 1.611123 -2.966565
H -2.037952 -2.853012 -0.442432
H -3.416812 -2.880598 0.681870
H -1.764389 -2.897757 1.317861


%chk=000249516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249516

0 1
O -2.108080 -0.182549 -0.717045
O 0.299333 3.280841 -1.574085
O -2.773562 -0.638036 1.474228
N 0.611083 1.193525 -0.613410
C 1.308399 -0.105344 -0.489229
C 2.385937 -0.128178 0.621802
C -0.516611 1.471051 0.301323
C 3.051612 -1.515621 0.764023
C -1.893488 1.250030 -0.344252
C 0.955308 2.189111 -1.523377
C 4.128722 -1.549099 1.869477
C 2.129469 1.922775 -2.465158
C -2.575901 -1.025197 0.299250
C -2.826145 -2.418217 -0.237278
H 0.548134 -0.882755 -0.284669
H 1.767252 -0.366717 -1.458753
H 1.924756 0.161306 1.587502
H 3.157015 0.637195 0.401390
H -0.469559 2.533340 0.603564
H -0.417490 0.842790 1.202720
H 3.505942 -1.807403 -0.205180
H 2.273187 -2.274793 0.984197
H -1.971821 1.796227 -1.294989
H -2.690234 1.558537 0.356073
H 3.694036 -1.294609 2.854176
H 4.590298 -2.549872 1.952572
H 4.935193 -0.821146 1.661252
H 2.357476 2.866457 -2.982174
H 3.032701 1.574730 -1.933570
H 1.865536 1.164625 -3.226136
H -2.125122 -2.660652 -1.051066
H -3.851179 -2.471516 -0.647803
H -2.744997 -3.152131 0.578828


