%chk=000197317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197317

0 1
O 5.457398 0.086045 -0.584398
O -1.317042 3.762209 -0.658170
O 0.468342 2.755417 0.033436
N 2.661048 -0.323230 -0.205060
N -0.991730 0.301163 0.300016
N -3.211840 0.074464 -0.168005
N -0.723017 2.773025 -0.260313
C 1.220559 -0.375975 -0.606157
C 3.483386 -1.316258 -0.970949
C 3.218980 1.056846 -0.400430
C 0.410307 0.012024 0.652642
C 4.927732 -1.246326 -0.444230
C 4.664716 1.070308 0.114653
C -2.071216 -0.588084 0.258901
C -1.482092 1.559246 -0.138171
C -2.860418 1.375446 -0.410257
C -1.956042 -1.979691 0.628980
C -2.974430 -2.872151 0.663771
C -2.715192 -4.288401 1.068349
C -4.382014 -2.547362 0.319345
H 0.940522 -1.398712 -0.934438
H 0.970444 0.303730 -1.450896
H 3.474805 -1.133670 -2.067078
H 3.069552 -2.331432 -0.797456
H 2.594332 1.781029 0.172786
H 3.193389 1.387476 -1.461570
H 0.863615 0.916652 1.139104
H 0.448468 -0.802264 1.410793
H 4.989461 -1.548204 0.616315
H 5.623586 -1.845168 -1.057233
H 5.186920 2.011917 -0.130255
H 4.719003 0.870385 1.198912
H -3.559889 2.125666 -0.757204
H -0.946656 -2.304159 0.899382
H -1.664005 -4.492749 1.310457
H -3.307154 -4.560058 1.956241
H -3.002982 -4.987925 0.268434
H -5.073248 -3.390945 0.412067
H -4.462378 -2.155619 -0.712151
H -4.769117 -1.722465 0.946337


%chk=000197317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197317

0 1
O 5.511468 -0.224871 -0.484871
O -1.727466 3.931369 -0.748203
O 0.297419 3.001700 -0.202851
N 2.618226 -0.308030 -0.260808
N -1.062255 0.474073 0.241721
N -3.282889 0.072754 -0.158465
N -0.994970 2.922193 -0.388136
C 1.198590 -0.171561 -0.642802
C 3.358173 -1.326475 -1.050765
C 3.353990 0.987745 -0.276085
C 0.357781 0.236147 0.592740
C 4.772837 -1.497381 -0.470931
C 4.769696 0.788365 0.286674
C -2.084680 -0.487733 0.246017
C -1.655369 1.673458 -0.201883
C -3.017511 1.391901 -0.428319
C -1.866821 -1.868926 0.625152
C -2.819005 -2.862847 0.681474
C -2.415484 -4.262426 1.096721
C -4.283274 -2.663589 0.349972
H 0.834185 -1.144377 -1.024170
H 1.044810 0.582132 -1.450604
H 3.440073 -1.036473 -2.127735
H 2.819485 -2.291513 -0.993767
H 2.812630 1.733455 0.333414
H 3.422765 1.392797 -1.315535
H 0.762333 1.159377 1.028558
H 0.406649 -0.557303 1.354896
H 4.700748 -1.878323 0.571090
H 5.371935 -2.193261 -1.081272
H 5.363437 1.713233 0.203586
H 4.708015 0.476183 1.351486
H -3.778325 2.086656 -0.773930
H -0.837756 -2.140523 0.886907
H -1.339633 -4.347082 1.326538
H -2.988641 -4.580579 1.990026
H -2.660405 -4.989524 0.297196
H -4.850702 -3.599746 0.488674
H -4.413248 -2.309764 -0.688712
H -4.730708 -1.869032 0.973500


