%chk=000206009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206009

0 1
S 0.180211 0.046116 0.326691
N 4.454533 -0.112658 -0.870138
N 3.577310 1.438356 0.529643
C 2.792508 0.275135 0.586524
C 1.607663 0.199265 1.459838
C 3.322435 -0.700423 -0.274283
C -1.232573 0.234653 1.467437
C -2.437245 0.036175 0.607723
C 2.892769 -2.075441 -0.582249
C 4.569961 1.193919 -0.347200
C -3.060166 -1.220680 0.540230
C -2.954471 1.107461 -0.139479
C -4.190542 -1.399341 -0.261415
C -4.084186 0.921285 -0.939592
C -4.705711 -0.330273 -1.001084
H 1.652447 -0.670704 2.141795
H 1.513468 1.111753 2.086288
H -1.214680 1.237688 1.935273
H -1.171785 -0.502365 2.288753
H 5.051393 -0.549476 -1.545263
H 3.636083 -2.822571 -0.268916
H 1.948074 -2.319370 -0.064148
H 2.697666 -2.217216 -1.656315
H 5.353786 1.878809 -0.628859
H -2.660014 -2.059044 1.106804
H -2.469183 2.081990 -0.102857
H -4.670071 -2.375390 -0.310716
H -4.480230 1.754047 -1.518549
H -5.585849 -0.471899 -1.624238


%chk=000206009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206009

0 1
S 0.178722 0.192566 -0.049100
N 4.766026 -0.207949 -0.685796
N 3.739903 1.492241 0.385156
C 2.945031 0.328377 0.472265
C 1.635481 0.342209 1.191356
C 3.565081 -0.742764 -0.192263
C -1.248420 0.198215 1.230571
C -2.573300 0.032623 0.526156
C 3.145457 -2.168324 -0.404364
C 4.829498 1.133561 -0.315231
C -3.132252 -1.256720 0.328654
C -3.277240 1.163532 0.036255
C -4.368177 -1.413216 -0.337525
C -4.512733 1.010228 -0.630943
C -5.062942 -0.279303 -0.819457
H 1.533459 -0.500034 1.898249
H 1.527884 1.297241 1.729396
H -1.189690 1.158677 1.770488
H -1.055623 -0.629383 1.935256
H 5.462252 -0.719559 -1.227249
H 3.759460 -2.878908 0.182246
H 2.093140 -2.288711 -0.098943
H 3.210325 -2.463926 -1.468598
H 5.662174 1.784585 -0.570339
H -2.593587 -2.138248 0.697148
H -2.850174 2.163902 0.175852
H -4.788698 -2.415227 -0.479741
H -5.045299 1.893103 -1.002145
H -6.022160 -0.398987 -1.335655


