%chk=000211235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211235

0 1
I 1.373853 1.762663 -1.887904
I 2.316309 -1.985150 2.765519
I 7.066003 0.249842 -0.021301
O -1.735223 2.175901 -0.401903
O 0.061461 0.656005 1.146349
O -3.134475 2.695973 1.272395
N 0.124811 -1.298032 -0.106764
N 4.656000 1.632587 -1.822549
C -4.628745 -0.129889 0.815087
C -5.126603 0.964488 -0.144212
C -3.605015 -1.030504 0.180294
C -4.003030 1.752116 -0.829961
C -2.244672 -0.787807 0.414377
C -1.278150 -1.565839 -0.235927
C -3.994163 -2.088128 -0.654808
C -1.662597 -2.637972 -1.069087
C -3.021317 -2.889185 -1.260349
C 2.195586 -0.089897 0.353062
C 0.686825 -0.180345 0.527557
C -2.988491 2.261058 0.154766
C 2.718888 0.720109 -0.650465
C 3.048835 -0.777313 1.216387
C 4.127077 0.859936 -0.815004
C 4.437127 -0.655364 1.084576
C 4.968681 0.143931 0.084348
H -4.208890 0.350870 1.728608
H -5.493972 -0.722348 1.176224
H -5.767162 0.511631 -0.927139
H -5.772089 1.664617 0.426712
H -3.491868 1.111669 -1.586309
H -4.423652 2.609869 -1.395337
H -1.938774 0.015887 1.093342
H -5.047707 -2.285183 -0.831828
H -0.921316 -3.259682 -1.561536
H -3.327197 -3.718333 -1.898803
H 0.753685 -1.968685 -0.558394
H 5.100184 -1.194136 1.775490
H 5.656125 1.778715 -1.892681
H 4.056950 2.197236 -2.414273
H -0.988995 2.314893 0.261140


%chk=000211235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211235

0 1
I 2.044017 1.339867 -2.637493
I 1.843421 -1.206066 3.020918
I 7.239800 0.075443 0.511838
O -2.127657 2.227914 -0.621874
O 0.129320 1.187995 0.424419
O -3.152370 2.353737 1.461064
N 0.168020 -1.067106 -0.274179
N 5.224994 1.120822 -1.892798
C -4.642290 -0.349937 1.018468
C -5.389712 0.804428 0.273859
C -3.586032 -1.066599 0.186857
C -4.488896 1.777467 -0.535266
C -2.214113 -0.768711 0.380802
C -1.225741 -1.373946 -0.429543
C -3.944860 -2.021158 -0.800490
C -1.590652 -2.333971 -1.405274
C -2.952779 -2.658433 -1.578381
C 2.267500 0.063927 0.183969
C 0.747314 0.121084 0.126273
C -3.225587 2.167647 0.219840
C 3.044836 0.577664 -0.880661
C 2.932452 -0.444310 1.328618
C 4.478477 0.613458 -0.850099
C 4.342022 -0.432573 1.400570
C 5.091871 0.085223 0.332400
H -4.168897 0.078904 1.918758
H -5.407279 -1.072837 1.362268
H -6.130075 0.377532 -0.430529
H -5.956177 1.369825 1.036727
H -4.182614 1.331601 -1.495634
H -5.066161 2.693389 -0.767808
H -1.918767 -0.064160 1.162833
H -5.001538 -2.272472 -0.951519
H -0.824041 -2.806405 -2.031614
H -3.238294 -3.403409 -2.329104
H 0.824299 -1.805087 -0.545457
H 4.849466 -0.820669 2.285665
H 6.241498 1.138738 -1.834849
H 4.765718 1.509141 -2.714674
H -1.256197 2.118247 -0.119203


