%chk=000238959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238959

0 1
O -0.325831 -0.206551 -1.878079
O -2.743999 0.132728 2.138911
O 5.583560 0.013400 0.618745
N -2.143675 -1.843114 -1.110772
C -0.082895 0.247239 -0.514934
C -0.887492 -0.580263 0.595979
C -0.645378 1.670781 -0.349393
C -1.681357 1.752625 0.607569
C -1.909723 0.432536 1.231661
C 1.432893 0.192471 -0.253147
C -1.608744 -1.835314 0.154347
C -0.257262 2.817379 -1.070792
C -2.357636 2.968064 0.873904
C 1.991821 0.786794 0.910817
C 2.294791 -0.469150 -1.152613
C -0.926832 4.035004 -0.813977
C -1.803416 -2.924401 1.038231
C -1.970174 4.114114 0.152452
C 3.370278 0.708974 1.173317
C 3.685110 -0.554653 -0.906069
C 4.223711 0.033731 0.263699
C -2.569164 -4.030118 0.612845
C -2.871640 -2.917440 -1.522153
C -3.117427 -4.030944 -0.691067
C 6.507203 -0.661648 -0.294661
H -0.190650 -0.854183 1.409393
H 0.539737 2.756572 -1.818287
H -1.201275 -0.753923 -1.861665
H -3.157245 2.998540 1.621370
H 1.347429 1.327646 1.615772
H 1.856789 -0.906484 -2.053977
H -0.640866 4.937228 -1.366949
H -1.372766 -2.889379 2.042865
H -2.469992 5.072535 0.330438
H 3.810032 1.164689 2.065771
H 4.326606 -1.072733 -1.625675
H -2.737414 -4.876854 1.286341
H -3.263764 -2.871787 -2.543445
H -3.717698 -4.868867 -1.057331
H 6.508740 -0.183126 -1.293659
H 6.257938 -1.735768 -0.400634
H 7.499173 -0.555451 0.168753


%chk=000238959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238959

0 1
O -0.090052 -0.503380 -1.907064
O -1.956228 -0.019883 2.567815
O 5.698342 0.328903 0.694363
N -2.222008 -1.733121 -1.156528
C 0.059294 0.030249 -0.564641
C -0.676167 -0.825064 0.569658
C -0.616737 1.406213 -0.437490
C -1.427964 1.513139 0.715900
C -1.435776 0.230894 1.449839
C 1.569037 0.123435 -0.264674
C -1.695812 -1.855511 0.104538
C -0.482447 2.499978 -1.314846
C -2.112979 2.710327 1.036600
C 2.047987 0.802517 0.887957
C 2.503660 -0.494432 -1.122764
C -1.169159 3.696673 -1.007504
C -2.138325 -2.872228 0.988778
C -1.976046 3.805704 0.161585
C 3.422189 0.851429 1.179114
C 3.889993 -0.451505 -0.846158
C 4.349981 0.221211 0.311816
C -3.141875 -3.766174 0.563238
C -3.186815 -2.604566 -1.565677
C -3.681559 -3.633358 -0.738232
C 6.695627 -0.303952 -0.170277
H 0.058403 -1.335768 1.215850
H 0.137650 2.412201 -2.212050
H -1.046242 -0.884004 -1.941129
H -2.733627 2.764704 1.936991
H 1.347407 1.310123 1.561863
H 2.126094 -1.001934 -2.014245
H -1.079876 4.560033 -1.677035
H -1.711364 -2.935226 1.993386
H -2.493902 4.747552 0.373376
H 3.800545 1.373004 2.063499
H 4.589248 -0.938633 -1.532714
H -3.499741 -4.553437 1.234908
H -3.562052 -2.463296 -2.584597
H -4.461231 -4.307570 -1.104472
H 6.685424 0.134633 -1.187404
H 6.534732 -1.397819 -0.238492
H 7.663870 -0.101160 0.310817


