%chk=000268810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268810

0 1
S 0.435533 2.217968 2.200528
S -0.558178 -2.537688 -3.091387
N -0.278247 0.476071 -0.465325
C 0.927864 1.355545 -0.657274
C 0.115466 -0.975328 -0.525055
C -1.317311 0.800540 -1.502565
C 2.013493 1.033369 0.339409
C -1.077882 -1.898940 -0.483285
C 3.207502 0.347091 -0.091056
C -1.867038 -1.995113 0.722852
C -1.788029 2.228583 -1.368748
C 1.899109 1.396178 1.663859
C -1.415432 -2.693484 -1.557205
C 4.224561 0.058024 0.856460
C -2.932868 -2.932092 0.783947
C 3.412854 -0.055339 -1.450031
C -1.618597 -1.173298 1.868379
C 2.915708 1.107071 2.616388
C -2.492718 -3.621704 -1.504551
C 4.052942 0.452729 2.222149
C -3.228598 -3.746810 -0.356744
C -2.312395 2.685501 -0.149493
C -1.733770 3.094349 -2.470360
C 5.409361 -0.626436 0.436852
C -3.706728 -3.048630 1.981208
C 4.556869 -0.710863 -1.829591
C -2.377987 -1.300270 3.005262
C 5.570827 -1.003209 -0.872612
C -3.433377 -2.253524 3.066294
C -2.775801 3.997644 -0.035770
C -2.203697 4.406093 -2.352045
C -2.724216 4.860015 -1.136845
H 0.585480 2.413736 -0.513175
H 1.326142 1.313571 -1.698928
H 0.745019 -1.170985 0.381125
H 0.780323 -1.203909 -1.389658
H -2.193279 0.128423 -1.322139
H -0.974264 0.587519 -2.539055
H 2.637488 0.175735 -2.184984
H -0.823050 -0.421302 1.819312
H 2.782532 1.401142 3.657158
H -2.730079 -4.223329 -2.381989
H 4.841467 0.221194 2.937212
H -4.051649 -4.457145 -0.293268
H -2.340717 2.010379 0.707823
H -1.330401 2.750025 -3.419854
H 6.177721 -0.840876 1.178520
H -4.514984 -3.776997 2.011621
H 4.707732 -1.016564 -2.864060
H -2.186070 -0.670621 3.872716
H 6.468292 -1.525560 -1.199997
H -4.016773 -2.335425 3.981996
H -3.177501 4.349986 0.912426
H -2.162708 5.074549 -3.209755
H 0.926804 2.825288 3.301890
H -0.382651 -3.844411 -3.385683
H -3.087894 5.880836 -1.046497


%chk=000268810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268810

0 1
S 0.358163 2.342879 2.053578
S -0.660504 -2.668619 -3.283321
N -0.192779 0.473069 -0.688576
C 1.045359 1.312567 -0.774876
C 0.109978 -0.987557 -0.766018
C -1.187306 0.897300 -1.715960
C 2.087596 0.990671 0.285964
C -1.107490 -1.889344 -0.606078
C 3.305287 0.266179 -0.033125
C -1.811919 -1.950198 0.658421
C -1.803680 2.261351 -1.438040
C 1.901388 1.436219 1.608739
C -1.532182 -2.727850 -1.652376
C 4.297316 0.033090 1.001798
C -2.920535 -2.868997 0.827265
C 3.589991 -0.247196 -1.346291
C -1.445352 -1.121525 1.773131
C 2.871255 1.184630 2.631063
C -2.631691 -3.631531 -1.487125
C 4.048288 0.509205 2.328816
C -3.307302 -3.700135 -0.272939
C -2.443036 2.516195 -0.197435
C -1.799581 3.275765 -2.426571
C 5.506473 -0.670712 0.691708
C -3.603873 -2.936273 2.085261
C 4.776986 -0.931235 -1.621028
C -2.129361 -1.209320 2.988594
C 5.750214 -1.146354 -0.597138
C -3.216447 -2.123961 3.152535
C -3.066809 3.758357 0.045292
C -2.424483 4.522181 -2.186820
C -3.061837 4.766189 -0.949252
H 0.716381 2.361175 -0.641505
H 1.492154 1.245502 -1.794476
H 0.834551 -1.210768 0.038920
H 0.624856 -1.236625 -1.725662
H -1.985552 0.132308 -1.720565
H -0.734935 0.892405 -2.739473
H 2.867502 -0.107470 -2.154822
H -0.644708 -0.388391 1.652489
H 2.683915 1.528203 3.654420
H -2.940514 -4.274484 -2.319409
H 4.795270 0.327756 3.110341
H -4.145576 -4.395955 -0.149808
H -2.432987 1.737255 0.573089
H -1.307106 3.088311 -3.389365
H 6.239801 -0.830692 1.491323
H -4.438657 -3.639168 2.194934
H 4.962239 -1.311080 -2.631826
H -1.832883 -0.563508 3.822532
H 6.676114 -1.684325 -0.826845
H -3.742889 -2.180290 4.111719
H -3.558548 3.942502 1.007532
H -2.412722 5.297975 -2.961074
H 0.912537 2.995710 3.146955
H -1.476262 -3.602399 -3.901913
H -3.547911 5.730314 -0.760307


