%chk=000290981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290981

0 1
O -1.785754 -3.336667 0.181330
O 1.371333 2.005718 -2.123144
N -1.089081 -1.200915 -0.207167
N -0.029513 -0.445761 -0.608918
C 0.095946 0.837929 -0.494078
C -2.421667 -0.670753 0.068135
C -0.775882 1.883975 0.081067
C -0.866100 -2.630140 -0.167896
C 1.397111 1.389429 -1.085513
C 0.499713 -3.129511 -0.509126
C 2.629411 1.178473 -0.273789
C -3.033980 -0.955263 1.297977
C -3.078361 0.090493 -0.911817
C -1.239847 2.928985 -0.733081
C -1.110453 1.847450 1.443120
C 1.042454 -2.942601 -1.786617
C 1.210704 -3.836581 0.471348
C 2.994891 -0.097961 0.173263
C 3.439784 2.287738 0.013233
C -4.315687 -0.457477 1.547244
C -4.355920 0.585128 -0.640766
C -2.050892 3.925419 -0.185585
C -1.918687 2.851198 1.983338
C -4.974283 0.314577 0.584988
C -2.391307 3.887250 1.170917
C 2.306605 -3.462898 -2.080556
C 2.475501 -4.347994 0.170858
C 4.168032 -0.260680 0.915937
C 4.604671 2.119733 0.765402
C 3.022622 -4.161842 -1.103709
C 4.968685 0.845988 1.216373
H -2.528077 -1.576430 2.036008
H -2.598607 0.297199 -1.867490
H -0.957598 2.959839 -1.788179
H -0.745501 1.037823 2.073830
H 0.486211 -2.387346 -2.543538
H 0.774448 -3.992006 1.458659
H 2.374301 -0.967421 -0.064874
H 3.159197 3.275854 -0.355013
H -4.803070 -0.677082 2.496465
H -4.872882 1.182122 -1.391251
H -2.415937 4.734339 -0.816694
H -2.182703 2.823827 3.039358
H -5.971146 0.701846 0.787576
H -3.023784 4.665404 1.595000
H 2.732988 -3.320248 -3.072936
H 3.031916 -4.898158 0.928137
H 4.456405 -1.252659 1.260154
H 5.231557 2.979804 0.995370
H 4.007924 -4.564903 -1.336374
H 5.879409 0.716357 1.800223


%chk=000290981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290981

0 1
O -1.631409 -3.184033 0.504145
O 1.068073 2.823261 -1.506700
N -1.021015 -1.001993 -0.024702
N 0.064347 -0.153730 -0.278383
C 0.029345 1.162425 -0.113214
C -2.417674 -0.587093 -0.134822
C -0.967728 2.021187 0.587791
C -0.713815 -2.397650 0.130492
C 1.250918 1.823368 -0.743000
C 0.680735 -2.916088 -0.105830
C 2.627860 1.299095 -0.476045
C -3.365416 -0.943143 0.850186
C -2.812780 0.139799 -1.283299
C -1.374070 3.287866 0.085210
C -1.436810 1.605797 1.867341
C 1.555584 -2.473745 -1.133555
C 1.053584 -4.040936 0.680687
C 2.925449 0.415433 0.595912
C 3.686078 1.773393 -1.300954
C -4.715486 -0.565506 0.681631
C -4.161419 0.522094 -1.436559
C -2.240705 4.106783 0.839864
C -2.291418 2.433952 2.621670
C -5.117844 0.170253 -0.455741
C -2.702635 3.686054 2.108344
C 2.777004 -3.143002 -1.360708
C 2.287802 -4.688907 0.470062
C 4.256554 0.016316 0.837547
C 5.012425 1.364188 -1.065301
C 3.154076 -4.242414 -0.555483
C 5.301326 0.484239 0.007126
H -3.055016 -1.521827 1.722327
H -2.075013 0.397375 -2.050542
H -1.002378 3.616300 -0.888558
H -1.109499 0.645115 2.280638
H 1.287753 -1.608144 -1.741279
H 0.353034 -4.404819 1.439290
H 2.120883 0.042528 1.234691
H 3.440130 2.466300 -2.112450
H -5.451634 -0.848333 1.441869
H -4.465244 1.086448 -2.324770
H -2.552815 5.076687 0.437061
H -2.636161 2.103349 3.607566
H -6.165896 0.463909 -0.579732
H -3.372170 4.327424 2.692312
H 3.439060 -2.796466 -2.161585
H 2.566669 -5.545866 1.092975
H 4.478072 -0.664122 1.666558
H 5.820953 1.729188 -1.708100
H 4.109559 -4.750161 -0.729537
H 6.333878 0.168453 0.194750


