%chk=000238660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238660

0 1
S 0.052737 -0.878916 -0.505834
O 3.693045 -0.912020 0.013310
O -0.798095 1.787876 0.975379
O 0.540867 -2.218180 -0.240168
O 0.446740 -0.196054 -1.708691
O 3.616592 1.267170 0.610601
N 0.707117 0.049006 0.834198
C 1.966467 -0.352860 1.512072
C 1.943201 0.392454 2.871432
C 0.986136 1.575700 2.657052
C 0.172905 1.224163 1.425885
C 3.162399 0.150314 0.678448
C -1.640818 -0.834286 -0.284698
C -2.385141 0.299423 -0.637807
C -2.298825 -1.964606 0.224759
C -3.772423 0.304472 -0.485722
C -3.681399 -1.964112 0.381023
C -4.430580 -0.824757 0.026940
C 4.798158 -0.644711 -0.926375
C -5.913961 -0.826299 0.179905
C 5.120651 -2.011572 -1.486763
H 2.019989 -1.469681 1.618714
H 2.950180 0.733428 3.172885
H 1.581584 -0.277387 3.671674
H 1.542100 2.520716 2.475613
H 0.329974 1.762263 3.525171
H -1.878396 1.194277 -1.024007
H -1.719969 -2.856743 0.495399
H -4.340087 1.192354 -0.759877
H -4.184467 -2.845018 0.774519
H 4.419230 0.064958 -1.683177
H 5.621347 -0.187846 -0.353000
H -6.255292 -1.482974 0.992204
H -6.316370 0.175554 0.388005
H -6.398878 -1.179901 -0.744241
H 5.850617 -1.946742 -2.301796
H 5.521522 -2.684365 -0.717713
H 4.213943 -2.496699 -1.883419


%chk=000238660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238660

0 1
S 0.265121 -0.971736 -0.438433
O 3.341118 -0.020542 0.059529
O -0.144843 2.121413 0.345617
O 0.841447 -2.442084 -0.039718
O 0.665234 -0.283897 -1.844862
O 4.152514 -1.353197 1.805377
N 0.830007 0.070802 1.023619
C 1.871389 -0.449755 1.928949
C 1.923475 0.689210 3.007149
C 1.506065 1.967485 2.237430
C 0.622793 1.458397 1.085947
C 3.244184 -0.679286 1.271043
C -1.609434 -0.982399 -0.243889
C -2.343713 0.115516 -0.719415
C -2.183495 -2.125044 0.332992
C -3.748115 0.050705 -0.596390
C -3.592018 -2.159268 0.440223
C -4.390528 -1.079906 -0.021544
C 4.562617 -0.268986 -0.775745
C -5.903885 -1.137637 0.072850
C 4.279946 -1.408415 -1.756753
H 1.576819 -1.416461 2.368006
H 2.920755 0.752571 3.470315
H 1.187098 0.459736 3.795899
H 2.372704 2.484997 1.785770
H 0.952579 2.697832 2.847916
H -1.837636 0.988384 -1.141437
H -1.554802 -2.956365 0.667758
H -4.351714 0.893852 -0.950883
H -4.073273 -3.037805 0.884236
H 4.725894 0.691473 -1.289455
H 5.406320 -0.496431 -0.100413
H -6.238992 -1.913228 0.782094
H -6.325769 -0.169784 0.397163
H -6.349708 -1.372962 -0.912664
H 5.142199 -1.532103 -2.438202
H 4.119347 -2.359714 -1.221970
H 3.381100 -1.186970 -2.356210


