%chk=000244684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244684

0 1
O 0.949242 2.372167 -1.469978
O 2.582939 0.386822 2.744808
O 1.006123 1.621328 1.757263
O -4.367163 -1.945666 0.220501
O -2.478494 -2.721676 -0.494235
N -3.209893 -1.810563 -0.140218
C 1.594498 0.191060 -0.784619
C -0.797462 1.046087 -0.560267
C 0.612622 1.322032 -0.977443
C 2.178198 -0.081886 0.464907
C -1.316977 -0.251238 -0.543226
C 1.937034 -0.581250 -1.898774
C -1.602150 2.134251 -0.177980
C -2.650172 -0.442636 -0.151615
C 3.100135 -1.133448 0.587865
C -2.927483 1.926839 0.219203
C 2.853487 -1.631043 -1.768177
C -3.461360 0.638544 0.234290
C 3.432799 -1.907753 -0.526646
C 1.828615 0.738851 1.648201
H -0.706492 -1.116435 -0.831149
H 1.498400 -0.360377 -2.873668
H -1.175865 3.144591 -0.191028
H 3.555630 -1.339753 1.562297
H -3.544103 2.775475 0.520368
H 3.116433 -2.232226 -2.640600
H -4.498011 0.457578 0.541688
H 4.146949 -2.726034 -0.425932
H 2.358019 0.937362 3.546164


%chk=000244684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244684

0 1
O 0.934653 2.395911 -1.590246
O 2.149619 -0.212236 2.838789
O 0.967133 1.456281 1.744139
O -4.358605 -1.847351 0.813350
O -2.279291 -2.700130 0.427495
N -3.118140 -1.720018 0.480091
C 1.646538 0.227993 -0.824741
C -0.801978 1.090084 -0.548266
C 0.617004 1.332161 -0.984406
C 2.125546 -0.246512 0.432755
C -1.270366 -0.202094 -0.219182
C 2.167872 -0.337495 -2.013276
C -1.698531 2.192162 -0.515477
C -2.624235 -0.360411 0.138437
C 3.082798 -1.292701 0.479600
C -3.046852 2.009188 -0.147987
C 3.117583 -1.381685 -1.960358
C -3.526826 0.723686 0.184545
C 3.569731 -1.867133 -0.711418
C 1.678209 0.422157 1.683758
H -0.618130 -1.079662 -0.244225
H 1.823372 0.046569 -2.978746
H -1.309607 3.180565 -0.780010
H 3.441368 -1.632152 1.454844
H -3.727452 2.865675 -0.117070
H 3.503291 -1.812077 -2.890602
H -4.566677 0.546843 0.471824
H 4.305452 -2.676621 -0.668002
H 1.832014 0.290005 3.636386


