%chk=000180805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180805

0 1
S 5.274484 -0.337902 -1.144847
F 5.610813 0.401133 1.346426
F 5.333889 2.006293 0.019064
F 7.973321 -0.307661 -0.333852
F 8.107083 1.339842 0.976487
F -5.268633 -2.052404 -1.667396
F -4.912105 0.995263 1.877504
O -1.263106 1.399300 -1.936298
O -2.843752 -1.417389 0.643201
N -0.646612 -0.342879 -0.496596
N -2.943938 0.327393 -0.846433
C 1.527223 -1.279740 0.089554
C 2.935069 -1.288906 -0.038864
C 0.775674 -0.323476 -0.641981
C 3.547391 -0.340903 -0.877030
C 1.412258 0.610958 -1.479465
C 2.797198 0.601529 -1.588835
C 0.866816 -2.271693 0.995290
C 3.736827 -2.291008 0.720720
C 5.933524 0.802650 0.105633
C -1.534198 0.515483 -1.147006
C 7.456183 0.928057 -0.137162
C -5.007575 -0.534638 0.101945
C -3.521125 -0.618573 0.024786
C -5.838411 -1.293855 -0.737642
C -5.657121 0.255207 1.064153
C -7.231918 -1.277463 -0.645143
C -7.046854 0.304565 1.194970
C -7.827201 -0.472642 0.332284
H 0.825962 1.347361 -2.041316
H 3.290803 1.333878 -2.233710
H 1.251756 -2.185861 2.023109
H -0.228104 -2.161862 1.068774
H 1.051186 -3.302418 0.656084
H 3.302314 -3.299453 0.658550
H 3.787161 -2.021326 1.788006
H 4.777455 -2.387351 0.375091
H -1.028958 -1.067388 0.163997
H 7.728265 1.591213 -0.994332
H -3.556327 0.987019 -1.352766
H -7.844660 -1.882019 -1.315945
H -7.515499 0.930940 1.955906
H -8.916659 -0.450374 0.422684


%chk=000180805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180805

0 1
S 5.416534 -0.678316 -1.139087
F 5.687222 0.421051 1.369762
F 5.239783 1.925559 -0.275109
F 8.221116 -0.161981 -0.058171
F 7.892103 1.940070 0.806698
F -5.335992 -0.339102 -2.296471
F -4.752728 -0.581301 2.519083
O -1.254482 1.079001 -2.466555
O -2.730527 -1.232717 0.744651
N -0.632454 -0.342741 -0.666010
N -2.903384 0.211167 -1.082481
C 1.483080 -1.189195 0.178451
C 2.904761 -1.290345 0.110086
C 0.782474 -0.392796 -0.784721
C 3.578462 -0.568099 -0.917853
C 1.477232 0.307220 -1.803497
C 2.876783 0.215368 -1.858616
C 0.689759 -1.906130 1.260830
C 3.659744 -2.142785 1.115725
C 5.955996 0.713454 0.000079
C -1.514150 0.352290 -1.468218
C 7.456785 1.034097 -0.195391
C -4.946874 -0.497033 0.097959
C -3.449811 -0.544259 -0.049872
C -5.857840 -0.440239 -0.987341
C -5.557237 -0.577440 1.379664
C -7.251795 -0.485764 -0.855460
C -6.947844 -0.619289 1.572881
C -7.795057 -0.579806 0.444773
H 0.922998 0.908596 -2.525198
H 3.428713 0.755026 -2.633000
H 1.341922 -2.449912 1.957394
H 0.091902 -1.196938 1.866014
H -0.019291 -2.642291 0.833482
H 3.277890 -3.179792 1.130870
H 3.560456 -1.734277 2.138412
H 4.733585 -2.179415 0.880804
H -1.087552 -0.880952 0.096185
H 7.659770 1.475320 -1.186218
H -3.527335 0.705615 -1.727377
H -7.881551 -0.449473 -1.747680
H -7.343309 -0.675906 2.590072
H -8.879956 -0.616642 0.578054


