%chk=000180804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180804

0 1
S 5.202455 0.729098 -1.006587
F 5.597782 -1.836093 -0.684191
F 5.621407 -0.754425 1.116602
F 7.851272 -0.069210 -1.530064
F 8.222490 -1.603851 -0.131050
F -5.477746 1.101001 -1.495780
F -4.735348 -2.433288 1.494082
O -1.129430 1.440974 1.497270
O -2.962350 -1.171644 -1.130643
N -0.671664 0.006592 -0.298134
N -2.894223 0.319034 0.614240
C 1.416176 -0.524218 -1.453283
C 0.741265 0.191794 -0.419469
C 2.839646 1.205293 0.302316
C 3.496312 0.498806 -0.715244
C 1.450458 1.041502 0.436646
C 2.793588 -0.352196 -1.579390
C 0.692835 -1.439038 -2.386251
C 3.563260 2.111703 1.237014
C 6.011134 -0.665471 -0.170315
C -1.478618 0.643580 0.648278
C 7.539068 -0.442796 -0.266989
C -5.025001 -0.661946 -0.016134
C -3.558109 -0.563091 -0.263341
C -5.946719 0.163849 -0.679486
C -5.569338 -1.632528 0.840186
C -7.328481 0.050421 -0.510305
C -6.943106 -1.784210 1.041712
C -7.817006 -0.934656 0.354789
H 0.925950 1.589229 1.229656
H 3.331297 -0.890666 -2.366026
H -0.074130 -0.907701 -2.969929
H 0.200847 -2.265291 -1.850376
H 1.367959 -1.906941 -3.117421
H 4.269076 2.776420 0.716399
H 2.882807 2.757766 1.810539
H 4.147834 1.536151 1.972479
H -1.118324 -0.657607 -0.968877
H 7.936427 0.309434 0.457142
H -3.439406 0.816936 1.336444
H -8.013919 0.710882 -1.044058
H -7.328671 -2.551223 1.715528
H -8.895953 -1.041574 0.496321


%chk=000180804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180804

0 1
S 5.286481 0.606700 -1.305318
F 5.567374 -1.976035 -0.412867
F 5.520821 -0.414787 1.239849
F 8.056735 -0.654335 -1.369799
F 8.046188 -1.663632 0.693573
F -5.363635 1.692358 0.321621
F -4.765490 -3.103281 -0.146724
O -1.160246 1.857992 1.327804
O -2.842075 -1.274073 -0.953311
N -0.675260 0.130890 -0.229312
N -2.878579 0.487297 0.580450
C 1.340323 -0.638592 -1.340891
C 0.724281 0.271749 -0.424484
C 2.886603 1.378633 0.033444
C 3.487868 0.474609 -0.881997
C 1.492726 1.260025 0.243406
C 2.727657 -0.507410 -1.554289
C 0.540295 -1.708446 -2.061906
C 3.675626 2.431693 0.787483
C 5.984734 -0.651111 -0.101616
C -1.487327 0.887989 0.589499
C 7.528836 -0.569290 -0.048256
C -4.973449 -0.689825 0.041366
C -3.491195 -0.520371 -0.158714
C -5.882254 0.381759 0.231444
C -5.576799 -1.975730 -0.018106
C -7.271940 0.233415 0.329759
C -6.961976 -2.185388 0.081548
C -7.810236 -1.069744 0.249625
H 0.991291 1.937847 0.937234
H 3.228063 -1.183720 -2.254003
H -0.254007 -1.277045 -2.701830
H 0.044935 -2.403810 -1.356683
H 1.195743 -2.311427 -2.710562
H 4.268547 3.064852 0.103591
H 3.002031 3.082557 1.368600
H 4.387273 1.957636 1.487802
H -1.172953 -0.616019 -0.751381
H 7.877447 0.369563 0.414965
H -3.454168 1.101893 1.164056
H -7.902528 1.115772 0.463190
H -7.352320 -3.204927 0.032415
H -8.891639 -1.215429 0.323624


