%chk=000210219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210219

1 1
S -2.111510 1.289967 1.058278
N -2.152622 -0.798653 -0.401145
N 4.375971 0.049181 0.071860
C -1.263255 0.045791 0.187741
C -3.529678 -0.453550 -0.186520
C 0.163103 0.018768 0.148117
C -3.670070 0.648536 0.613121
C -1.764842 -1.987492 -1.184536
C 3.010273 0.043978 0.095773
C 0.873364 -0.164658 -1.068409
C 0.914358 0.230129 1.336889
C -4.604690 -1.264229 -0.796076
C 2.247329 -0.153684 -1.105919
C 2.288844 0.235111 1.323120
C -4.892193 1.302821 1.091573
C 5.134136 -0.140103 -1.185015
C 5.175437 0.262580 1.299062
H -0.723629 -2.296857 -0.958039
H -2.415263 -2.851147 -0.941412
H -1.843480 -1.793170 -2.271421
H 0.313459 -0.291194 -1.998318
H 0.389081 0.372268 2.286104
H -4.482814 -1.386752 -1.885216
H -4.674594 -2.271973 -0.351233
H -5.596336 -0.796934 -0.652118
H 2.757166 -0.283729 -2.058676
H 2.830553 0.386581 2.255346
H -5.566036 0.592630 1.606952
H -4.710898 2.122768 1.806875
H -5.473236 1.744510 0.259462
H 4.909887 -1.121951 -1.642025
H 6.223504 -0.106663 -1.003330
H 4.901044 0.656520 -1.916368
H 6.258133 0.227187 1.082062
H 4.967836 -0.521271 2.051512
H 4.964168 1.251984 1.746628


%chk=000210219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210219

1 1
S -2.119835 1.223043 1.249729
N -2.185105 -0.752144 -0.445210
N 4.445118 0.056699 0.064675
C -1.266530 0.025831 0.218419
C -3.560770 -0.438965 -0.207942
C 0.174061 -0.018926 0.156198
C -3.730928 0.586636 0.697791
C -1.805719 -1.929771 -1.264093
C 3.067548 0.037323 0.092500
C 0.903882 -0.367763 -1.029441
C 0.943754 0.379857 1.300037
C -4.643878 -1.212738 -0.908243
C 2.297589 -0.338563 -1.065313
C 2.335998 0.401579 1.279641
C -4.982579 1.202113 1.248000
C 5.175607 -0.337441 -1.157703
C 5.212258 0.488739 1.251888
H -0.838304 -2.318885 -0.914845
H -2.566358 -2.713930 -1.142089
H -1.733002 -1.664932 -2.332427
H 0.373793 -0.600551 -1.957695
H 0.429480 0.643943 2.231841
H -4.478954 -1.251730 -1.999756
H -4.722208 -2.251351 -0.536329
H -5.619803 -0.733758 -0.740766
H 2.800622 -0.581597 -2.004018
H 2.868900 0.689618 2.188494
H -5.877788 0.745613 0.796300
H -5.054515 1.060254 2.341889
H -5.023825 2.288187 1.049373
H 4.916976 -1.367934 -1.464756
H 6.256880 -0.304650 -0.962203
H 4.959063 0.348652 -1.998770
H 6.286636 0.459404 1.021123
H 5.030036 -0.178735 2.115304
H 4.954402 1.524172 1.543094


