%chk=000187924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187924

0 1
S -5.093965 -0.773778 0.033244
N 6.066337 -0.717975 -0.003445
C 0.095694 -0.309364 0.009628
C -1.199528 0.513315 0.001658
C 1.333598 0.597646 -0.007894
C -2.436546 -0.398519 0.019381
C 2.625038 -0.228804 0.000116
C -3.718899 0.424434 0.011503
C 3.864627 0.681398 -0.017693
C 5.090604 -0.098705 -0.009744
C -6.544021 0.303875 0.022669
H 0.114020 -0.990885 -0.863484
H 0.119815 -0.964669 0.902445
H -1.220199 1.192953 0.875512
H -1.226075 1.166566 -0.891941
H 1.312468 1.277774 0.866052
H 1.306652 1.251571 -0.901458
H -2.409127 -1.081299 -0.855509
H -2.403172 -1.055018 0.913958
H 2.652939 -0.884538 0.893657
H 2.646987 -0.910988 -0.873569
H -3.786275 1.062839 -0.887335
H -3.780614 1.088654 0.891855
H 3.851858 1.368750 0.860758
H 3.846169 1.341705 -0.916550
H -6.579973 0.950871 0.904759
H -7.435393 -0.338419 0.034950
H -6.586021 0.925208 -0.877424


%chk=000187924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187924

0 1
S -5.248008 -0.851912 0.045503
N 6.224949 -0.623609 -0.005737
C 0.111180 -0.332491 0.007175
C -1.215890 0.460354 0.001197
C 1.359372 0.578459 -0.007301
C -2.460265 -0.459141 0.020007
C 2.680470 -0.221479 -0.001628
C -3.774224 0.340465 0.011555
C 3.919840 0.717596 -0.015199
C 5.198487 -0.014446 -0.010177
C -6.639543 0.415122 0.023271
H 0.138416 -1.007704 -0.872761
H 0.143297 -0.985947 0.903255
H -1.242862 1.136826 0.880678
H -1.250231 1.111212 -0.897173
H 1.331170 1.252779 0.873965
H 1.326064 1.231868 -0.904024
H -2.435137 -1.134037 -0.858519
H -2.429000 -1.104968 0.919991
H 2.724782 -0.870083 0.893927
H 2.720390 -0.890194 -0.882464
H -3.855416 0.959258 -0.900852
H -3.844012 0.996538 0.898512
H 3.894020 1.387423 0.866388
H 3.889760 1.367587 -0.911405
H -6.585160 1.062726 0.913493
H -7.583803 -0.151143 0.038960
H -6.591648 1.023538 -0.894537


