%chk=000180929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180929

0 1
I -0.913047 -2.294245 -2.289758
I -0.410371 1.547989 2.406134
I -4.431522 2.714315 -1.936042
I -5.375662 -2.004051 1.768757
O 5.347959 2.139817 -0.559359
O 4.535624 1.399529 1.393779
O -5.918810 0.450427 -0.058341
N 6.075874 -0.612383 -0.797662
C 3.889501 -1.180829 0.229096
C 2.412174 -0.916073 0.171212
C 4.684633 -0.129295 -0.569934
C -0.365658 -0.426997 0.072031
C 1.616256 -1.559120 -0.789306
C 1.818519 -0.024697 1.081236
C 0.247440 -1.308125 -0.827311
C 0.448982 0.206647 1.021968
C -1.819674 -0.174404 0.021904
C 4.824227 1.157098 0.250006
C -2.696804 -1.005441 0.744010
C -2.318023 0.889999 -0.743380
C -3.689915 1.124367 -0.790401
C -4.064290 -0.770548 0.696950
C -4.571229 0.296655 -0.070901
H 4.121706 -2.200030 -0.145470
H 4.246302 -1.191319 1.287237
H 4.136274 0.125864 -1.518829
H 2.070643 -2.254129 -1.498923
H 2.446479 0.485771 1.826527
H -2.293032 -1.831767 1.338366
H -1.625167 1.529776 -1.298464
H 6.592009 0.045837 -1.380829
H 6.076985 -1.513200 -1.266573
H 5.488963 3.001628 -0.081816
H -6.220947 1.232934 -0.625714


%chk=000180929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180929

0 1
I -0.834468 -2.209361 -2.407709
I -0.465309 1.466158 2.612921
I -4.564046 2.834227 -1.823036
I -5.508362 -2.186171 1.616774
O 5.630489 2.079051 -0.785730
O 4.523232 1.574623 1.189755
O -6.082710 0.420718 -0.115714
N 6.132671 -0.690130 -0.793233
C 3.944233 -1.123851 0.296019
C 2.443364 -0.871752 0.245361
C 4.768494 -0.158043 -0.598264
C -0.406831 -0.407301 0.113829
C 1.655798 -1.478173 -0.764168
C 1.805939 -0.029732 1.188993
C 0.267133 -1.242121 -0.822792
C 0.414242 0.186013 1.116610
C -1.884082 -0.172502 0.048041
C 4.923626 1.216706 0.064386
C -2.781849 -1.057102 0.696334
C -2.398821 0.935054 -0.667838
C -3.788324 1.141034 -0.727865
C -4.169963 -0.840171 0.630517
C -4.706012 0.264276 -0.085470
H 4.149905 -2.151849 -0.059772
H 4.325332 -1.049622 1.328363
H 4.209816 0.006911 -1.552483
H 2.127251 -2.141572 -1.496177
H 2.406893 0.459481 1.959456
H -2.390700 -1.914139 1.251636
H -1.714834 1.624389 -1.169519
H 6.755034 -0.062514 -1.310787
H 6.157241 -1.655633 -1.132876
H 5.757975 2.959819 -0.339218
H -6.335957 1.225280 -0.646145


