%chk=000278679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278679

0 1
O -1.570794 2.602124 1.201971
O -3.531896 2.030727 -1.062244
O 4.255246 0.407131 1.374273
O 4.723921 -0.174948 -0.879460
N -1.037735 -1.923815 -0.352919
C -1.693757 -0.806024 0.385360
C -0.670209 0.353889 0.709889
C -2.232669 -1.487024 1.674131
C -1.300509 1.665382 0.146523
C -1.750536 -3.202487 -0.013268
C -2.569358 -2.928831 1.264077
C -2.833814 -0.107801 -0.341308
C 0.731767 0.164622 0.194663
C -0.860593 -1.734380 -1.820389
C -2.638120 1.217938 -0.427942
C -0.092260 -0.433971 -2.127064
C 1.012337 -0.183113 -1.137823
C 1.780978 0.381805 1.130184
C 2.348645 -0.324812 -1.599704
C 3.067261 0.242615 0.667991
C 3.348901 -0.105866 -0.683386
C -3.362849 3.460898 -0.864885
C 5.331017 0.131059 0.418850
H -0.640585 0.450681 1.825100
H -3.108942 -0.953100 2.075147
H -1.463494 -1.481425 2.466377
H -0.662851 2.172146 -0.608043
H -0.964424 -3.966446 0.163981
H -2.398899 -3.575440 -0.829304
H -2.315947 -3.642375 2.064982
H -3.649915 -3.042195 1.071796
H -3.680889 -0.665371 -0.693890
H -1.821854 -1.728663 -2.380229
H -0.267960 -2.605283 -2.183170
H -0.796294 0.423270 -2.141904
H 0.304656 -0.493776 -3.160992
H 1.575870 0.630202 2.167131
H -0.740960 2.827304 1.671006
H 2.565971 -0.604477 -2.626313
H -2.513306 3.809675 -1.456146
H -3.231818 3.692084 0.200337
H -4.310296 3.857214 -1.247057
H 5.864344 -0.765494 0.760924
H 5.923421 1.047852 0.305046


%chk=000278679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278679

0 1
O -1.505883 2.760140 1.157643
O -3.825959 2.049692 -0.676140
O 4.300493 0.430300 1.451521
O 4.791291 -0.110392 -0.834413
N -1.135958 -1.897223 -0.409055
C -1.697662 -0.813932 0.453548
C -0.706031 0.403685 0.699239
C -1.952333 -1.618285 1.761782
C -1.404445 1.690344 0.134204
C -1.817334 -3.185416 -0.110277
C -2.495290 -2.983579 1.276457
C -2.952817 -0.129967 -0.082792
C 0.726422 0.208653 0.226596
C -0.889944 -1.667335 -1.838577
C -2.801255 1.213403 -0.236324
C -0.110670 -0.355895 -2.120721
C 1.021462 -0.116994 -1.133806
C 1.783533 0.395547 1.163945
C 2.369980 -0.251569 -1.566831
C 3.097255 0.250162 0.714065
C 3.385165 -0.066615 -0.625481
C -3.468059 3.419155 -1.092198
C 5.376043 -0.022686 0.530107
H -0.688358 0.562359 1.793650
H -2.645334 -1.086042 2.435560
H -0.986193 -1.754481 2.283502
H -0.857439 2.105339 -0.739310
H -1.076344 -4.009619 -0.104046
H -2.581195 -3.437918 -0.884469
H -2.262066 -3.800311 1.980234
H -3.593730 -2.944453 1.165907
H -3.875028 -0.671205 -0.311462
H -1.836157 -1.648808 -2.438660
H -0.294534 -2.527897 -2.205179
H -0.827229 0.485000 -2.102147
H 0.282492 -0.404585 -3.152574
H 1.572208 0.634887 2.210588
H -0.587172 3.073301 1.362630
H 2.604023 -0.500289 -2.605987
H -2.899262 3.405113 -2.042785
H -2.886217 3.925291 -0.303384
H -4.430237 3.928997 -1.250006
H 5.716871 -1.029258 0.840991
H 6.183700 0.724885 0.526753


