%chk=000206937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206937

0 1
I -3.643618 -0.461716 -0.736412
I 0.903230 3.401826 0.554038
I 1.686634 -2.473560 1.480705
O 2.588960 0.872454 2.545400
O -2.048656 -4.445166 -0.389774
O -2.874564 3.998490 -1.464522
O 2.005266 -1.522758 -1.936200
O 4.137829 -1.793878 -1.286787
N -1.447249 -2.504855 0.610268
N -2.155531 2.329736 -0.112939
N 3.310979 0.609916 0.397552
C -0.946823 -1.161400 0.558939
C -1.276794 1.237784 0.189663
C 0.888017 0.400140 0.929206
C -1.750855 -0.090189 0.126478
C 0.063963 1.466407 0.560637
C 0.387047 -0.901235 0.942438
C -1.891584 -3.004384 1.952485
C -3.132972 2.715732 0.957620
C 2.316507 0.656984 1.382037
C -1.542756 -3.349457 -0.529385
C -2.134230 3.043649 -1.343695
C 4.742662 0.771584 0.787824
C 3.021245 0.402944 -1.025374
C -0.972296 -2.821770 -1.828789
C -1.199894 2.523601 -2.415826
C -3.265094 -2.476342 2.343832
C -2.469189 3.470228 2.101158
C 5.235920 2.190553 0.528416
C -0.419904 -3.970765 -2.663970
C -1.656977 2.992117 -3.792279
C 3.182098 -1.069636 -1.382160
H -1.909482 -4.121923 1.897141
H -1.128417 -2.722002 2.712487
H -3.914492 3.354804 0.474780
H -3.640004 1.797988 1.331124
H 4.833349 0.525180 1.875648
H 5.349052 0.020942 0.230119
H 3.729676 0.996426 -1.657477
H 1.997697 0.759417 -1.298564
H -0.182986 -2.056480 -1.668083
H -1.787811 -2.302432 -2.383225
H -0.173120 2.900680 -2.207253
H -1.137505 1.416418 -2.400206
H -3.282558 -1.384898 2.440087
H -4.027503 -2.748950 1.599967
H -3.582866 -2.899034 3.304564
H -1.705289 2.872497 2.612923
H -1.975647 4.386802 1.747283
H -3.210915 3.769979 2.851017
H 6.269741 2.310938 0.875970
H 4.624574 2.929329 1.066507
H 5.212203 2.457518 -0.532927
H -1.183157 -4.752375 -2.811130
H 0.429629 -4.460842 -2.173118
H -0.101154 -3.628963 -3.654141
H -1.808958 4.082367 -3.811164
H -2.616164 2.538854 -4.074544
H -0.923720 2.739379 -4.565023
H 2.026956 -2.495952 -2.159846


%chk=000206937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206937

0 1
I -3.782393 -0.283751 -0.381000
I 1.024504 3.440018 0.627391
I 1.602179 -2.610846 1.512557
O 2.689532 0.741241 2.625172
O -1.971869 -4.509544 -0.317892
O -2.930204 3.994686 -1.497253
O 2.209976 -1.341270 -2.416796
O 4.281887 -1.708905 -1.422492
N -1.533541 -2.465210 0.681134
N -2.075504 2.435973 -0.009185
N 3.381600 0.515220 0.408205
C -0.982784 -1.142436 0.647384
C -1.231823 1.319073 0.293887
C 0.963635 0.371592 0.967863
C -1.761937 -0.007713 0.284476
C 0.141663 1.478082 0.637462
C 0.384176 -0.919977 0.990014
C -1.924794 -3.043982 2.008148
C -3.019695 2.928036 1.044355
C 2.412253 0.566745 1.400949
C -1.546891 -3.323253 -0.438439
C -2.152223 3.018737 -1.291883
C 4.811959 0.641900 0.801537
C 3.064292 0.426473 -1.022518
C -1.043777 -2.763520 -1.773210
C -1.275732 2.409794 -2.392985
C -3.444913 -3.119889 2.241064
C -2.510821 4.151947 1.828350
C 5.321980 2.095183 0.714466
C -0.481004 -3.877253 -2.679308
C -1.750412 2.823129 -3.798734
C 3.288961 -0.977020 -1.602484
H -1.498592 -4.062258 2.048074
H -1.437278 -2.434102 2.789237
H -3.957897 3.190115 0.524884
H -3.224469 2.083750 1.726842
H 4.890855 0.281372 1.840287
H 5.395652 -0.035121 0.153984
H 3.719150 1.123821 -1.580726
H 2.025155 0.729031 -1.213891
H -0.286356 -1.975663 -1.614980
H -1.905912 -2.277708 -2.273830
H -0.234531 2.755511 -2.229764
H -1.258412 1.307498 -2.296856
H -3.908151 -2.119850 2.278904
H -3.925721 -3.707299 1.441856
H -3.636980 -3.627575 3.204682
H -1.613053 3.917649 2.424882
H -2.273720 4.978374 1.138147
H -3.304307 4.494913 2.518134
H 6.390319 2.131601 0.994136
H 4.760807 2.745661 1.406671
H 5.230486 2.507616 -0.307965
H -1.220001 -4.685873 -2.801165
H 0.425709 -4.328857 -2.236054
H -0.229704 -3.473207 -3.677039
H -1.808275 3.920777 -3.882141
H -2.758211 2.424046 -4.007398
H -1.055835 2.440417 -4.567773
H 2.363494 -2.245199 -2.807874


