%chk=000235408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235408

0 1
S -0.463869 1.042277 1.188663
S -3.441753 -1.687403 -0.129691
C 2.290314 -0.878898 -0.110250
C 1.178347 -0.046997 -0.812469
C 0.720378 1.296674 -0.241363
C 2.183095 -2.327723 -0.648267
C 3.685337 -0.335790 -0.483865
C 2.142590 -0.917205 1.416310
C -0.043352 2.081804 -1.306532
C 1.800548 2.155540 0.396798
C -1.813389 0.148781 0.524789
C -2.979282 0.821395 -0.003174
C -1.903054 -1.208155 0.528302
C -3.950287 -0.042678 -0.403109
H 0.284143 -0.697365 -0.927190
H 1.519445 0.126561 -1.857021
H 2.976907 -2.960130 -0.238184
H 2.269962 -2.364189 -1.737787
H 1.229691 -2.788810 -0.374103
H 3.830711 0.691840 -0.140437
H 3.846248 -0.346497 -1.565812
H 4.477541 -0.941454 -0.031427
H 2.877066 -1.586328 1.874161
H 1.147493 -1.262159 1.718462
H 2.283737 0.077539 1.862743
H -0.495226 2.995792 -0.899211
H 0.619970 2.394276 -2.122742
H -0.854977 1.495749 -1.756013
H 1.413973 3.119701 0.752460
H 2.600204 2.373358 -0.323793
H 2.272107 1.653195 1.260166
H -3.040551 1.901877 -0.051211
H -1.184204 -1.931800 0.875590
H -4.913462 0.178322 -0.827893


%chk=000235408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235408

0 1
S -0.464736 1.141963 1.307779
S -3.579761 -1.727300 0.043953
C 2.333422 -0.906913 -0.096911
C 1.212964 -0.040817 -0.772751
C 0.736242 1.342796 -0.244770
C 2.274258 -2.297919 -0.798168
C 3.751825 -0.320196 -0.350028
C 2.129115 -1.124194 1.424839
C -0.063176 2.047610 -1.364511
C 1.827162 2.291741 0.294821
C -1.886849 0.226460 0.615846
C -3.027483 0.857020 -0.021194
C -2.022300 -1.150565 0.726030
C -4.017300 -0.035307 -0.388711
H 0.302894 -0.669894 -0.859180
H 1.547677 0.132665 -1.819948
H 3.072433 -2.962231 -0.416828
H 2.407933 -2.199950 -1.892766
H 1.301642 -2.794521 -0.618556
H 3.914534 0.634775 0.176090
H 3.923433 -0.150396 -1.430562
H 4.523214 -1.030082 0.004913
H 2.906929 -1.811716 1.810430
H 1.140073 -1.565884 1.641742
H 2.191331 -0.181899 1.995161
H -0.520781 2.982003 -0.994566
H 0.614265 2.299757 -2.204387
H -0.864573 1.397688 -1.758379
H 1.384394 3.267235 0.565587
H 2.590179 2.465856 -0.486379
H 2.333962 1.887365 1.186713
H -3.095655 1.936288 -0.173962
H -1.337907 -1.864922 1.178957
H -4.972960 0.154581 -0.873400


