%chk=000231208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231208

0 1
O 0.428647 -3.329005 -0.570996
O 3.757077 -1.197161 -0.080011
O -2.263330 -0.944541 0.505409
O 0.902541 1.869699 -0.225596
O -3.408880 -0.663928 -1.429435
O -0.122711 0.229519 -1.391661
C 0.275875 -2.480791 0.597580
C 4.072299 0.011662 0.663724
C -1.090009 -2.888473 1.176920
C 2.698511 0.678463 0.818496
C -2.229591 -2.405608 0.293927
C 2.209621 1.269230 -0.498326
C 1.430644 -2.772673 1.550021
C 4.689523 -0.345255 2.012427
C -2.670916 1.264102 -0.145619
C -1.440029 1.933341 -0.249129
C -2.828618 -0.188487 -0.484284
C -0.215447 1.216766 -0.699852
C -3.815868 1.959359 0.262066
C -1.365933 3.299755 0.061886
C 1.127383 -2.691744 -1.658300
C 4.894996 -1.892793 -0.618023
C -3.733608 3.321568 0.568021
C -2.510227 3.990702 0.468720
H 0.263113 -1.410839 0.285651
H 4.768369 0.630103 0.056308
H -1.138631 -3.994431 1.259893
H -1.198597 -2.485218 2.202275
H 1.962993 -0.075084 1.180211
H 2.729947 1.459315 1.602555
H -2.052922 -2.606189 -0.781395
H -3.216587 -2.782634 0.602487
H 2.802929 2.132126 -0.843932
H 2.124705 0.503759 -1.295566
H 1.314203 -2.269407 2.511588
H 1.525855 -3.849240 1.732913
H 2.385511 -2.445728 1.101867
H 4.785193 0.530409 2.662959
H 4.076731 -1.087891 2.541299
H 5.688534 -0.780066 1.898308
H -4.772847 1.438428 0.334705
H -0.404259 3.816008 -0.012218
H 0.543071 -1.838368 -2.028666
H 1.187196 -3.483898 -2.410177
H 2.124088 -2.368280 -1.336594
H 5.445124 -1.253014 -1.313380
H 4.433016 -2.736659 -1.147580
H 5.541963 -2.256160 0.185255
H -4.627940 3.860652 0.883407
H -2.446807 5.052298 0.708362


%chk=000231208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231208

0 1
O 0.231751 -3.530296 -0.561300
O 3.988057 -1.041894 -0.287621
O -2.132838 -0.833848 0.511822
O 0.858684 1.850476 -0.055456
O -3.970909 -0.628409 -0.906109
O -0.255754 0.270499 -1.372416
C 0.238156 -2.715020 0.673757
C 4.180198 0.062289 0.681772
C -1.152634 -2.914970 1.304528
C 2.778262 0.656484 0.911129
C -2.270713 -2.328039 0.447448
C 2.176969 1.228749 -0.378606
C 1.385321 -3.148147 1.603814
C 4.821727 -0.429522 1.992744
C -2.797303 1.372895 -0.157622
C -1.521531 2.008332 -0.200587
C -3.021663 -0.110668 -0.268573
C -0.288432 1.260745 -0.605250
C -3.957443 2.159905 0.043876
C -1.434256 3.407653 0.015656
C 1.107499 -2.998438 -1.612536
C 5.228977 -1.537639 -0.883972
C -3.861936 3.553295 0.243375
C -2.593681 4.177038 0.244103
H 0.355045 -1.646997 0.395014
H 4.839311 0.830485 0.210258
H -1.331804 -4.002787 1.411382
H -1.178341 -2.467249 2.315800
H 2.116080 -0.135497 1.306206
H 2.843926 1.451598 1.677139
H -2.173610 -2.642087 -0.605653
H -3.277934 -2.591540 0.816859
H 2.794365 2.049895 -0.784689
H 2.039484 0.443834 -1.139116
H 1.368835 -2.563714 2.544394
H 1.287378 -4.219344 1.857150
H 2.364700 -2.987128 1.118652
H 4.917981 0.405057 2.711389
H 4.194519 -1.214728 2.451401
H 5.831367 -0.844087 1.824597
H -4.931119 1.659912 0.047774
H -0.449293 3.880786 -0.015768
H 0.782515 -1.983098 -1.914661
H 1.011516 -3.692743 -2.463296
H 2.166826 -2.954126 -1.286732
H 5.807313 -0.713913 -1.354559
H 4.924545 -2.257541 -1.660422
H 5.874635 -2.054883 -0.145822
H -4.769573 4.145212 0.401815
H -2.509275 5.256911 0.405413


