%chk=000179354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179354

0 1
O -0.156225 -0.887963 -2.340282
O 0.314148 0.936727 2.072545
O -1.819618 -1.466370 0.682493
O 2.298620 -2.994020 0.881514
N 1.112639 -1.893802 -0.760603
N 1.363189 -0.963873 1.446959
C 0.082266 0.370902 -0.279526
C -1.421530 0.694937 -0.258883
C 0.900037 1.535265 -0.898101
C 0.293018 -0.832434 -1.217424
C 0.552984 0.167048 1.168648
C -2.291935 -0.422066 0.293171
C 0.657312 2.861727 -0.238694
C 1.635941 -2.036294 0.554568
C -3.759364 -0.132952 0.316800
C 0.524743 3.996790 -0.920390
H -1.754807 0.951889 -1.290681
H -1.589340 1.623364 0.335815
H 0.668117 1.591785 -1.987207
H 1.987121 1.302487 -0.842085
H 1.257381 -2.694171 -1.399662
H 1.692124 -1.084857 2.420350
H 0.617615 2.836937 0.856750
H -4.163684 0.043461 -0.689760
H -4.322106 -0.980441 0.743372
H -4.000957 0.749532 0.925151
H 0.377036 4.955708 -0.441583
H 0.558074 4.068384 -1.998158


%chk=000179354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179354

0 1
O -0.307160 -0.977831 -2.305505
O 0.130173 0.846904 2.142968
O -1.846215 -1.439045 0.681548
O 2.527085 -2.906748 0.831581
N 1.159097 -1.861641 -0.749143
N 1.396879 -0.946016 1.416456
C 0.044572 0.331214 -0.259774
C -1.441204 0.747703 -0.288954
C 0.953561 1.483502 -0.872338
C 0.242912 -0.889674 -1.176956
C 0.482918 0.097248 1.194720
C -2.343802 -0.354855 0.266766
C 0.769818 2.837882 -0.219776
C 1.750556 -1.970376 0.521257
C -3.835450 -0.088435 0.289890
C 0.461569 3.967809 -0.904140
H -1.741435 0.975814 -1.329045
H -1.581347 1.670654 0.302606
H 0.717357 1.545579 -1.950721
H 2.012991 1.165387 -0.784642
H 1.349507 -2.636770 -1.392392
H 1.752768 -1.054001 2.371844
H 0.919937 2.884840 0.867555
H -4.206738 0.099359 -0.735557
H -4.371782 -0.947117 0.721287
H -4.054678 0.819772 0.882552
H 0.371118 4.934989 -0.397074
H 0.299790 3.961551 -1.989914


