%chk=000236389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236389

0 1
O -3.791706 -1.177540 -1.065665
C 0.469438 0.013572 0.245136
C -0.683524 0.361895 -0.892163
C -0.538548 -0.994407 0.778981
C 0.232483 1.428035 0.745676
C -1.523600 -0.688749 -0.217630
C -0.756257 1.729074 -0.251176
C 1.832793 -0.426595 -0.131607
C -2.731708 -1.343584 -0.209456
C -0.726412 -1.933365 1.755183
C 0.614303 2.337697 1.693023
C -1.373328 2.948174 -0.315216
C 2.853348 0.517221 -0.334843
C 2.112813 -1.791150 -0.314214
C -2.954127 -2.336223 0.795632
C -1.978864 -2.609768 1.738505
C -0.022227 3.607146 1.628821
C -0.976164 3.900928 0.662451
C 4.133396 0.100429 -0.708010
C 3.394516 -2.202762 -0.687466
C 4.407689 -1.259357 -0.884373
C -3.639878 -0.160028 -2.088825
H -0.478373 0.281151 -1.953299
H 0.019126 -2.161719 2.508040
H 1.355782 2.123191 2.456116
H -2.122635 3.197492 -1.058104
H 2.647682 1.579445 -0.202392
H 1.328387 -2.533758 -0.165522
H -3.908063 -2.859706 0.796384
H -2.167574 -3.367430 2.500389
H 0.252615 4.362463 2.363809
H -1.441652 4.885493 0.645423
H 4.919051 0.838151 -0.862224
H 3.603419 -3.262340 -0.825605
H 5.405412 -1.582005 -1.174225
H -2.851558 -0.453198 -2.787818
H -3.429853 0.811447 -1.630469
H -4.625202 -0.170918 -2.569965


%chk=000236389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236389

0 1
O -3.860383 -1.170542 -1.075552
C 0.475286 0.007971 0.224922
C -0.685855 0.362409 -0.908223
C -0.556599 -1.014861 0.765215
C 0.225532 1.453145 0.730805
C -1.538354 -0.724279 -0.215278
C -0.752875 1.754405 -0.247064
C 1.867175 -0.440944 -0.141073
C -2.792557 -1.363815 -0.188696
C -0.741538 -1.945704 1.794381
C 0.605600 2.371085 1.720007
C -1.412329 2.990576 -0.291173
C 2.907394 0.505059 -0.347077
C 2.159608 -1.818775 -0.330002
C -3.002858 -2.323357 0.844927
C -2.005913 -2.603471 1.805648
C -0.051223 3.634175 1.683500
C -1.032690 3.936341 0.703698
C 4.197473 0.087543 -0.740269
C 3.449257 -2.236887 -0.723721
C 4.475012 -1.285833 -0.931606
C -3.654184 -0.187002 -2.144777
H -0.464857 0.282568 -1.982104
H 0.023521 -2.167381 2.544564
H 1.363344 2.149598 2.479106
H -2.168442 3.241581 -1.043636
H 2.701621 1.571160 -0.199280
H 1.371148 -2.561778 -0.166232
H -3.967085 -2.841042 0.877729
H -2.222315 -3.349434 2.579107
H 0.204370 4.396727 2.428481
H -1.506860 4.924704 0.717535
H 4.987077 0.832034 -0.894143
H 3.655764 -3.304084 -0.864348
H 5.477133 -1.610463 -1.233598
H -2.837475 -0.501942 -2.821116
H -3.427091 0.812770 -1.728349
H -4.603834 -0.153855 -2.699007


