%chk=000219977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219977

0 1
O -0.483566 0.098569 -1.665846
O 0.582341 -1.856520 -0.376168
O -1.485255 0.519523 1.808271
O 3.048417 -1.266568 -0.073579
O -3.435927 1.559610 0.717509
O 3.733795 1.711713 -0.063212
C -0.298967 0.312288 -0.269599
C 0.841485 -0.591341 0.255768
C -1.619203 0.001701 0.484363
C 2.233923 -0.081225 -0.175458
C -2.844204 0.647703 -0.223601
C 2.788023 1.001445 0.759793
C -3.850119 -0.383365 -0.703542
H -0.044494 1.393614 -0.195670
H 0.777539 -0.745736 1.357967
H -1.739870 -1.094737 0.640356
H 2.242603 0.270391 -1.236026
H -2.527657 1.330209 -1.050228
H 3.315354 0.558354 1.625148
H 2.009139 1.701435 1.109537
H -4.176070 -1.062420 0.092705
H -4.748786 0.105669 -1.104509
H -3.430657 -0.999601 -1.510345
H -0.408657 -0.875663 -1.868064
H 1.421536 -2.391185 -0.417942
H -1.793536 1.468600 1.837504
H 3.933148 -1.094603 -0.465931
H -3.939974 1.070854 1.405773
H 4.139737 2.442584 0.443526


%chk=000219977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219977

0 1
O -0.653432 -0.411822 -1.660305
O 0.656344 -2.009803 -0.095352
O -1.191631 0.703530 1.857690
O 3.118498 -1.200491 -0.033657
O -3.753690 1.064424 1.264108
O 4.048513 1.357896 -0.126836
C -0.394304 0.142751 -0.330864
C 0.825933 -0.591905 0.283288
C -1.618370 0.046447 0.610481
C 2.172486 -0.092106 -0.276098
C -2.885796 0.768743 0.079490
C 2.687732 1.169194 0.420103
C -3.654395 -0.003407 -0.994093
H -0.162257 1.215981 -0.465690
H 0.810426 -0.492918 1.384317
H -1.855897 -1.024030 0.804315
H 2.095883 0.088463 -1.368382
H -2.603987 1.774446 -0.281042
H 2.724611 1.009668 1.516935
H 2.038499 2.037482 0.192184
H -3.992629 -0.987115 -0.610316
H -4.538070 0.569059 -1.326774
H -2.989821 -0.190565 -1.853935
H -0.354216 -1.366663 -1.587588
H 1.571493 -2.405561 -0.082682
H -2.037930 1.026402 2.280025
H 4.031611 -0.849195 -0.200620
H -4.352683 0.288709 1.414914
H 4.497176 2.113685 0.324883


