%chk=000228710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228710

0 1
O -0.408281 0.148386 1.505037
O 2.384969 0.526057 -0.289579
O 4.594037 0.418752 0.171299
C -2.606481 -1.275678 2.298755
C -2.107782 -1.333591 0.871029
C -4.066206 -0.775811 2.370480
C -2.471548 -2.653314 2.962047
C -0.966426 -0.591802 0.473015
C -2.737917 -2.112563 -0.100875
C 2.043225 0.397265 1.140439
C -4.204458 0.663213 1.881614
C 0.662781 1.071455 1.214475
C -0.472240 -0.629403 -0.832792
C -2.261108 -2.156619 -1.419015
C -1.134112 -1.419005 -1.779649
C 2.066946 -1.068273 1.515716
C 3.797233 0.549440 -2.151461
C 3.715221 0.489049 -0.653666
C 5.097404 1.224168 -2.607055
C 5.238994 1.192009 -4.124467
H -1.966666 -0.551321 2.871922
H -4.725928 -1.438613 1.779024
H -4.423739 -0.850661 3.415966
H -1.442176 -3.023145 2.888097
H -2.731099 -2.609872 4.024756
H -3.119696 -3.400315 2.492302
H 2.804239 0.981411 1.709224
H -3.618409 -2.695812 0.169208
H 0.591572 1.740305 2.095935
H 0.443310 1.643388 0.292901
H -3.880676 0.761487 0.837529
H -3.592431 1.351956 2.474935
H -5.242784 1.005469 1.940431
H 0.421161 -0.070986 -1.112570
H -2.773331 -2.768923 -2.156445
H -0.760738 -1.455327 -2.801723
H 1.573444 -1.687368 0.751737
H 1.528514 -1.245800 2.457275
H 3.094645 -1.436890 1.629412
H 2.911462 1.074199 -2.569648
H 3.734942 -0.487334 -2.550746
H 5.124292 2.271484 -2.244199
H 5.964998 0.720572 -2.129473
H 6.165823 1.685843 -4.442181
H 5.270747 0.166122 -4.509992
H 4.409372 1.705893 -4.623823


%chk=000228710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228710

0 1
O -0.269832 0.006318 1.463148
O 2.378403 0.501974 -0.159494
O 4.572614 1.259663 0.092774
C -2.544743 -1.564679 2.096917
C -2.176932 -1.214446 0.652369
C -4.023417 -1.224415 2.441540
C -2.243385 -3.062117 2.381427
C -1.026420 -0.429426 0.347496
C -2.947644 -1.687503 -0.437440
C 2.084503 0.878224 1.267268
C -4.358752 0.276788 2.312100
C 0.586052 1.195801 1.356737
C -0.663972 -0.136312 -0.989135
C -2.611887 -1.391233 -1.777524
C -1.464935 -0.613346 -2.049740
C 2.544035 -0.247818 2.200382
C 3.859656 0.194712 -2.027095
C 3.689761 0.718322 -0.611484
C 5.020439 0.871790 -2.787766
C 5.247197 0.236478 -4.175006
H -1.898922 -0.958802 2.758710
H -4.704051 -1.815591 1.795586
H -4.217684 -1.559826 3.480335
H -1.184287 -3.300163 2.175597
H -2.453965 -3.308466 3.439279
H -2.866915 -3.720252 1.746960
H 2.652702 1.806783 1.477218
H -3.836750 -2.294999 -0.228825
H 0.416408 1.744642 2.301955
H 0.272378 1.836698 0.511540
H -4.197244 0.629448 1.277385
H -3.717003 0.883333 2.978919
H -5.412397 0.477290 2.580704
H 0.257572 0.413714 -1.198491
H -3.233242 -1.768078 -2.597115
H -1.181295 -0.388049 -3.084137
H 2.011298 -1.182773 1.963680
H 2.320855 0.016432 3.250169
H 3.631443 -0.402122 2.106078
H 2.901448 0.299744 -2.567718
H 4.048341 -0.896465 -1.952254
H 4.804991 1.951984 -2.898025
H 5.939013 0.801464 -2.177088
H 6.074703 0.737088 -4.709270
H 5.504363 -0.836054 -4.086107
H 4.342599 0.313741 -4.807360


