%chk=000229317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229317

0 1
O 3.461033 0.273378 -0.177178
O -2.303049 3.017502 -0.539585
O -3.937693 1.497327 -0.648508
N -1.412635 -2.310396 -0.228950
C -1.530124 -0.127659 0.433885
C -0.150675 -0.424838 0.145129
C -0.093921 -1.799275 -0.265828
C -2.275629 -1.287835 0.190853
C -2.054656 1.170691 0.914838
C 1.032914 0.336045 0.194292
C 1.115349 -2.427255 -0.621126
C 2.211658 -0.304074 -0.162922
C -3.730697 -1.500438 0.314411
C 2.269825 -1.674657 -0.567328
C -2.887146 1.832626 -0.150763
C 3.569821 1.686260 0.188741
C 5.052553 1.967546 0.042332
H -1.677283 -3.240952 -0.484178
H -1.217036 1.840353 1.221665
H -2.684272 1.029444 1.823682
H 0.991980 1.375249 0.492958
H 1.133037 -3.469708 -0.927545
H -4.039213 -1.572149 1.368599
H -4.282374 -0.637629 -0.120259
H -4.094520 -2.397965 -0.200341
H 3.240207 -2.091862 -0.827910
H 2.950565 2.275989 -0.508906
H 3.211188 1.805466 1.225340
H 5.288949 3.007907 0.290427
H 5.647453 1.314962 0.696666
H 5.394085 1.773839 -0.984284
H -2.810298 3.483007 -1.255807


%chk=000229317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229317

0 1
O 3.428279 0.307875 -0.245902
O -1.430373 2.863271 -0.576084
O -3.583306 2.031830 -0.843960
N -1.471233 -2.378240 -0.149694
C -1.602682 -0.198536 0.492110
C -0.219256 -0.495701 0.167147
C -0.163826 -1.875310 -0.223981
C -2.348029 -1.367425 0.276986
C -2.139161 1.136001 0.964401
C 0.968209 0.286255 0.173289
C 1.048210 -2.496855 -0.596397
C 2.175770 -0.340066 -0.200460
C -3.819724 -1.629403 0.421191
C 2.217378 -1.717433 -0.578429
C -2.501082 2.026407 -0.217447
C 3.468377 1.732258 0.124124
C 4.919144 2.186806 -0.017518
H -1.751144 -3.331087 -0.372164
H -1.387833 1.651386 1.586330
H -3.055001 1.001077 1.564373
H 0.923245 1.345917 0.438631
H 1.090657 -3.550792 -0.892498
H -4.026966 -2.445589 1.140325
H -4.340950 -0.724444 0.771190
H -4.280082 -1.908494 -0.546192
H 3.185920 -2.142768 -0.857702
H 2.798125 2.309755 -0.546680
H 3.108053 1.855307 1.167274
H 5.012113 3.255575 0.248870
H 5.576604 1.601005 0.647531
H 5.268429 2.052146 -1.055548
H -1.678468 3.380172 -1.390716


