%chk=000224718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224718

0 1
O 3.407962 -0.597327 1.954074
O 3.411830 -2.269617 0.422369
O -3.410574 3.219254 0.107126
O -1.262959 3.339335 -0.055574
O -4.781404 -2.617556 -1.298119
O -5.827099 -0.811314 -0.725403
N 0.152378 1.290094 -0.731273
N 1.308010 0.594175 -1.036429
N -2.328273 2.715406 -0.123938
N -4.812873 -1.438419 -0.985118
C 3.648685 0.284908 -1.321205
C 4.452977 -0.106558 -0.079501
C 2.476777 1.172376 -0.961075
C -1.050662 0.620603 -0.794943
C -2.274014 1.313413 -0.497980
C 2.766520 2.581566 -0.561422
C 3.711178 -1.142677 0.730416
C -1.125531 -0.769058 -1.150667
C -3.504259 0.620161 -0.566488
C -3.534384 -0.720691 -0.915267
C -2.326035 -1.421989 -1.210449
C 2.704370 -1.433009 2.930563
C 3.668631 -2.416072 3.558493
H 3.302222 -0.637587 -1.849552
H 4.300436 0.813016 -2.048959
H 4.686505 0.781753 0.547597
H 5.434717 -0.535315 -0.379961
H 2.492024 2.770279 0.490212
H 3.831775 2.839756 -0.650710
H 2.221053 3.312586 -1.179100
H 0.174513 2.302047 -0.454339
H -0.190740 -1.299802 -1.372842
H -4.441889 1.160257 -0.338246
H -2.389324 -2.484886 -1.481745
H 1.860827 -1.930210 2.419324
H 2.341330 -0.663722 3.636335
H 4.566890 -1.915726 3.941785
H 4.000851 -3.170365 2.828825
H 3.204558 -2.953785 4.394486


%chk=000224718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224718

0 1
O 3.406260 -0.495209 1.720853
O 3.896151 -2.447472 0.532493
O -3.243057 3.042276 0.820232
O -0.979051 3.037099 0.572262
O -5.074863 -2.327310 -1.866724
O -6.007206 -0.536971 -0.794399
N 0.197653 1.057694 -0.640192
N 1.306740 0.361956 -1.127381
N -2.162626 2.483440 0.400753
N -4.991620 -1.186809 -1.260236
C 3.675820 0.152916 -1.471527
C 4.650747 -0.256330 -0.318958
C 2.482679 0.945682 -0.980144
C -1.059913 0.520152 -0.785720
C -2.237195 1.195995 -0.286334
C 2.706917 2.299949 -0.335628
C 3.977179 -1.204980 0.659006
C -1.246379 -0.741745 -1.442994
C -3.523283 0.633696 -0.444526
C -3.650685 -0.598390 -1.094046
C -2.513765 -1.294584 -1.596511
C 2.672912 -1.304462 2.749419
C 3.638048 -1.816553 3.821222
H 3.318892 -0.751886 -1.991957
H 4.252024 0.762844 -2.195006
H 5.010670 0.637121 0.218338
H 5.514929 -0.778767 -0.763132
H 2.540745 2.245593 0.758231
H 3.740241 2.644963 -0.496043
H 2.027008 3.073800 -0.741501
H 0.239484 1.969649 -0.142517
H -0.353711 -1.248210 -1.813835
H -4.401108 1.160485 -0.062025
H -2.659849 -2.255941 -2.095782
H 2.160709 -2.137148 2.236463
H 1.935429 -0.595618 3.158555
H 4.188892 -0.982438 4.288949
H 4.361437 -2.528447 3.389915
H 3.069744 -2.340741 4.611729


