%chk=000277125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277125

0 1
O 1.715254 -0.101629 0.671598
O 0.113076 -1.495328 -0.269741
O 2.337472 -3.474013 1.185656
O 4.447131 -2.145773 0.701550
O 1.431358 2.261636 -0.004226
O 3.165042 2.310137 -1.472137
O -4.699418 2.383321 0.866840
O -5.639059 0.918988 -0.417700
N -4.678680 1.367037 0.188637
C 2.151917 -2.550406 0.127584
C 1.207843 -1.446421 0.668505
C 3.521430 -2.026480 -0.391802
C 3.453906 -0.615088 -0.885574
C 2.583147 0.247637 -0.345759
C -1.019377 -0.735000 -0.074470
C 2.466865 1.701723 -0.698586
C -1.074845 0.429057 0.706341
C -2.136485 -1.222359 -0.785516
C -2.282474 1.113429 0.792426
C -3.334036 -0.527891 -0.697347
C -3.407133 0.635727 0.095427
C 1.187588 3.678373 -0.249968
H 1.612153 -3.131145 -0.666372
H 0.861013 -1.584241 1.714091
H 3.945517 -2.733004 -1.146785
H 4.157621 -0.321316 -1.668079
H 3.240133 -3.346220 1.611724
H 4.456277 -1.326613 1.251277
H -0.177888 0.819377 1.199394
H -2.042578 -2.127166 -1.385806
H -2.367562 2.025836 1.394648
H -4.227021 -0.873495 -1.232556
H 2.061937 4.259762 0.059103
H 0.316225 3.875664 0.384834
H 0.966351 3.836485 -1.310609


%chk=000277125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277125

0 1
O 1.739119 -0.074451 0.681127
O 0.086839 -1.428758 -0.419872
O 2.245918 -3.595253 1.096371
O 4.379047 -2.037138 1.046260
O 1.593429 2.417858 -0.196553
O 3.459246 2.199003 -1.584552
O -4.988071 2.017156 1.422849
O -5.842860 0.873080 -0.357671
N -4.877903 1.171701 0.449998
C 2.155217 -2.543683 0.097222
C 1.165397 -1.436567 0.564167
C 3.583324 -2.003963 -0.226351
C 3.558488 -0.620072 -0.814639
C 2.660972 0.282783 -0.325173
C -1.104732 -0.735953 -0.133982
C 2.634029 1.709412 -0.775630
C -1.253711 0.200823 0.921010
C -2.184523 -1.037735 -1.001799
C -2.501950 0.820532 1.113394
C -3.426627 -0.413244 -0.814411
C -3.573806 0.509398 0.248382
C 1.494822 3.844306 -0.601288
H 1.724431 -2.995791 -0.811340
H 0.771937 -1.648406 1.573084
H 4.097477 -2.725438 -0.877630
H 4.269400 -0.312843 -1.584172
H 3.061632 -3.386493 1.638216
H 4.366895 -1.136369 1.461617
H -0.403489 0.480046 1.546408
H -2.028889 -1.764052 -1.804201
H -2.655290 1.549372 1.913451
H -4.279614 -0.626578 -1.463257
H 2.414481 4.382477 -0.317231
H 0.622029 4.226496 -0.055483
H 1.350040 3.918946 -1.691720


