%chk=000188908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188908

0 1
O -0.803900 1.178594 -0.621547
O -3.198711 1.678121 -0.092299
O -4.674472 -0.039296 -0.084596
N 3.786456 -0.958976 0.123561
N -1.494950 -2.732024 0.312908
C 1.495329 -0.538769 -0.016751
C 0.140574 -0.922376 -0.000718
C 2.506289 -1.553633 0.175298
C 2.211571 0.715905 -0.180033
C 3.618263 0.422643 -0.089525
C -0.141318 -2.286475 0.235552
C 2.201840 -2.905234 0.381463
C 0.865760 -3.267859 0.414474
C -0.982181 0.041007 -0.241067
C 1.828718 2.048968 -0.385428
C 4.609064 1.410329 -0.201123
C -2.329682 -0.510465 -0.019039
C -2.541682 -1.845287 0.212155
C 2.808123 3.031237 -0.494690
C 4.179485 2.716368 -0.405031
C -3.519321 0.351851 -0.072982
C -4.302653 2.639827 -0.141178
C -4.933316 2.774784 1.229539
H 4.656771 -1.442501 0.225369
H 2.989061 -3.644284 0.514570
H 0.593286 -4.308377 0.580309
H 0.765003 2.311771 -0.462418
H -1.672245 -3.722674 0.463479
H 5.661804 1.163000 -0.131238
H -3.564316 -2.249926 0.322630
H 2.512478 4.066528 -0.655270
H 4.914104 3.516765 -0.498228
H -3.758075 3.546575 -0.464484
H -5.022697 2.313966 -0.911880
H -5.650092 3.602492 1.262363
H -5.471301 1.855789 1.507462
H -4.174967 2.953734 2.002692


%chk=000188908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188908

0 1
O -0.762889 1.339920 0.240298
O -3.460347 1.573097 -0.316200
O -4.738517 -0.221380 0.440349
N 3.808786 -0.996682 -0.067831
N -1.461487 -2.735641 0.328801
C 1.543221 -0.515668 0.049341
C 0.157949 -0.899819 0.150729
C 2.538993 -1.563082 0.048931
C 2.292234 0.746160 -0.077534
C 3.691054 0.396233 -0.149958
C -0.122595 -2.303732 0.238377
C 2.235455 -2.937716 0.147544
C 0.890154 -3.304407 0.242116
C -0.977087 0.085544 0.185638
C 1.956212 2.127404 -0.142849
C 4.722958 1.348440 -0.284442
C -2.339347 -0.497498 0.192911
C -2.516920 -1.872704 0.295935
C 2.980339 3.084546 -0.280393
C 4.349988 2.705176 -0.351006
C -3.612506 0.276096 0.143702
C -4.699232 2.408875 -0.362915
C -4.954092 3.064387 0.997699
H 4.682067 -1.517511 -0.097359
H 3.025702 -3.695412 0.146943
H 0.608431 -4.361592 0.316526
H 0.907200 2.416760 -0.075416
H -1.634405 -3.739106 0.403518
H 5.774659 1.045688 -0.335720
H -3.525761 -2.290832 0.357031
H 2.714624 4.146037 -0.329937
H 5.123409 3.474577 -0.455949
H -4.471290 3.152821 -1.142803
H -5.548866 1.773970 -0.670565
H -5.804511 3.767734 0.921279
H -5.200726 2.304595 1.758096
H -4.064758 3.626824 1.329415


