%chk=000189886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189886

0 1
O 5.446437 -0.417423 -0.573000
O 4.077910 1.999950 0.078231
O -2.575584 -3.150730 0.608116
N -0.724418 -1.830261 0.290808
N -3.246929 1.423401 -0.179874
N -2.986458 -0.898426 0.232289
C 0.151526 -3.025828 0.454343
C 1.347744 -2.961379 -0.502208
C -0.168685 -0.587276 0.027567
C 2.055672 -1.644262 -0.370607
C 1.303078 -0.488915 -0.086486
C -4.756069 1.437714 -0.103576
C -1.007256 0.499108 -0.137801
C -2.434029 0.319825 -0.023043
C 3.443496 -1.559617 -0.529213
C 1.955884 0.747869 0.080434
C -2.199623 -2.018771 0.391263
C -5.205092 0.986201 1.290746
C -5.179262 2.901898 -0.348861
C -5.336219 0.531964 -1.195707
C 4.095285 -0.328881 -0.380565
C 3.336023 0.836089 -0.059834
C 6.247334 0.785645 -0.431064
C 3.374404 3.185589 0.521042
H -0.464392 -3.940384 0.266605
H 0.493323 -3.077145 1.513341
H 1.012175 -3.093516 -1.555620
H 2.028392 -3.813598 -0.300941
H -0.600695 1.473622 -0.372185
H -2.793954 2.311925 -0.379102
H 4.039344 -2.441655 -0.764838
H 1.364387 1.630116 0.324724
H -4.740080 1.572799 2.087763
H -6.290528 1.057940 1.403208
H -4.934703 -0.069430 1.469860
H -4.872848 3.263700 -1.335626
H -6.272010 2.990323 -0.306774
H -4.779508 3.582851 0.409321
H -5.065740 -0.523798 -1.017701
H -4.965989 0.791156 -2.191420
H -6.428616 0.579417 -1.215229
H 6.166440 1.170374 0.590944
H 5.928576 1.536820 -1.161919
H 7.253946 0.409195 -0.646656
H 2.920077 3.019107 1.502134
H 2.636999 3.491315 -0.226537
H 4.192132 3.915181 0.585947


%chk=000189886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189886

0 1
O 5.516820 -0.437307 -0.560574
O 4.096356 2.051058 0.120158
O -2.614407 -3.187719 0.610630
N -0.737975 -1.824075 0.263281
N -3.282263 1.403047 -0.144270
N -2.994264 -0.906520 0.226822
C 0.129376 -3.014208 0.455053
C 1.311422 -2.972053 -0.525582
C -0.174629 -0.571075 0.036103
C 2.053945 -1.655804 -0.372969
C 1.301142 -0.486416 -0.072475
C -4.779171 1.420877 -0.094861
C -1.023755 0.524114 -0.106251
C -2.449642 0.312618 0.000237
C 3.447951 -1.555582 -0.521012
C 1.983942 0.746175 0.093580
C -2.184359 -2.019448 0.378602
C -5.276303 0.942539 1.294638
C -5.192660 2.895634 -0.326742
C -5.363803 0.523098 -1.216911
C 4.139131 -0.329169 -0.375465
C 3.382340 0.846082 -0.050509
C 6.440165 0.707404 -0.449903
C 3.332948 3.244555 0.484723
H -0.518342 -3.892577 0.307050
H 0.496024 -3.032563 1.500707
H 0.931110 -3.083492 -1.561044
H 1.983800 -3.826420 -0.331647
H -0.620472 1.509527 -0.348975
H -2.826989 2.301413 -0.312693
H 4.050434 -2.439177 -0.754979
H 1.411700 1.634921 0.371255
H -4.882678 1.592883 2.097335
H -6.380779 0.974871 1.327722
H -4.942972 -0.091788 1.474380
H -4.848223 3.259534 -1.313985
H -6.292024 2.983165 -0.301327
H -4.783403 3.555984 0.462023
H -5.039800 -0.519107 -1.068452
H -5.024800 0.867864 -2.211085
H -6.468253 0.562435 -1.190317
H 6.419630 1.139975 0.563418
H 6.196421 1.489101 -1.187466
H 7.427709 0.269815 -0.663039
H 2.810808 3.109942 1.452040
H 2.599460 3.510056 -0.301624
H 4.081229 4.045614 0.576700


