%chk=000216981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216981

0 1
I -0.473063 0.640912 2.519769
I 1.368230 -2.830864 -2.275581
I 3.645059 2.515275 -1.550984
O -2.011561 -3.441553 0.363101
O 1.324225 2.319364 1.244360
O -2.595845 2.550117 0.317475
O -1.221309 1.662877 -1.210761
N -0.199846 -2.092116 0.554921
C -2.075249 -1.423983 -0.956136
C -3.183308 -0.645569 -0.234462
C -1.458234 -2.418232 0.003447
C 0.616794 -0.997097 0.102939
C -3.463201 0.713637 -0.887265
C 0.440674 -2.999355 1.543174
C 0.665282 0.200106 0.812429
C 1.400268 -1.112127 -1.069637
C 1.490135 1.276657 0.385551
C 2.219538 -0.066898 -1.481420
C 2.290926 1.128580 -0.752548
C -2.300480 1.636195 -0.664120
C 2.018405 3.582984 1.059097
H -2.490416 -1.985624 -1.820811
H -1.330187 -0.729100 -1.404244
H -2.915318 -0.492987 0.836038
H -4.114582 -1.249004 -0.221706
H -3.641395 0.600826 -1.978151
H -4.393100 1.152933 -0.462373
H 1.345598 -3.467964 1.122123
H -0.269493 -3.806667 1.813866
H 0.700428 -2.444249 2.460137
H 2.824369 -0.179804 -2.393612
H 3.098371 3.442885 1.166543
H 1.614731 4.162501 1.900621
H 1.744198 4.034712 0.100877
H -1.808444 3.102433 0.580640


%chk=000216981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216981

0 1
I 0.252519 0.071959 2.838754
I 1.365477 -2.890968 -2.482631
I 4.178516 2.398506 -1.260181
O -2.102705 -3.066121 0.632633
O 2.287973 2.099023 1.379900
O -3.391733 3.020026 -1.620517
O -1.750764 2.280993 -0.161216
N 0.058940 -2.214027 0.471833
C -1.854742 -0.948859 -0.559675
C -3.085912 -0.321650 0.137388
C -1.326907 -2.149670 0.228784
C 0.969851 -1.176864 0.085217
C -3.706279 0.829586 -0.676113
C 0.617896 -3.369174 1.210491
C 1.207145 -0.051770 0.926163
C 1.687617 -1.245918 -1.141481
C 2.079740 1.003754 0.541829
C 2.603516 -0.242839 -1.520381
C 2.786982 0.876690 -0.682907
C -2.829539 2.066179 -0.760049
C 1.338609 3.233379 1.183941
H -2.155195 -1.330292 -1.556669
H -1.078078 -0.183831 -0.715509
H -2.789549 0.049812 1.135276
H -3.842954 -1.110301 0.293761
H -3.950765 0.514152 -1.708842
H -4.668370 1.148027 -0.228182
H 1.420733 -3.848900 0.623672
H -0.204261 -4.084448 1.369694
H 1.017099 -3.048505 2.189897
H 3.155614 -0.325229 -2.458454
H 1.607042 3.788446 0.266493
H 1.474731 3.871120 2.069133
H 0.298540 2.870489 1.118643
H -2.808588 3.827025 -1.647397


