%chk=000241779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241779

0 1
O 2.929233 0.045444 0.046392
O 2.627082 -2.546545 -0.382560
O -3.193261 -0.754873 1.387263
O 1.509296 2.633043 -1.687938
O -4.425884 0.329900 -0.119531
C 0.563274 0.307913 -0.037471
C -0.790077 -0.323214 0.368921
C -1.956135 0.452151 -0.310378
C 1.721016 -0.542730 0.542361
C 0.648633 1.787710 0.393035
C -0.835944 -1.798631 0.082891
C -1.819762 1.935753 -0.036840
C -0.658329 2.517871 0.265926
C 1.614313 -1.990906 -0.016647
C 0.248584 -2.576172 -0.066380
C -2.012695 0.217505 -1.824010
C 1.805813 -0.598991 2.063525
C 1.690166 2.498778 -0.501066
C -3.320170 0.039478 0.266546
C 0.176274 -4.047143 -0.297444
C 2.913018 2.992699 0.203471
H 0.652805 0.274398 -1.159309
H -0.920459 -0.206440 1.483949
H 0.969446 1.836544 1.466202
H -1.842509 -2.227857 0.046295
H -2.740783 2.513295 -0.142773
H -0.595350 3.595500 0.436001
H -1.137235 0.664288 -2.320568
H -2.030689 -0.846206 -2.083979
H -2.901838 0.685036 -2.272337
H 0.937372 -1.091823 2.514600
H 2.706113 -1.138405 2.388159
H 1.879209 0.412363 2.486778
H 3.589614 -0.659647 -0.196107
H 0.159884 -4.597155 0.655033
H 1.056024 -4.408937 -0.857889
H -0.714447 -4.342618 -0.866167
H 2.691614 3.600121 1.085721
H 3.518263 2.124662 0.533457
H 3.550705 3.587109 -0.467137
H -4.073983 -0.998666 1.782004


%chk=000241779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241779

0 1
O 3.018887 -0.024341 0.295777
O 2.691388 -2.619174 -0.341110
O -3.282902 -0.661222 1.465843
O 1.590062 2.284448 -1.824169
O -4.417030 0.438701 -0.222149
C 0.600268 0.248618 0.042998
C -0.782337 -0.351326 0.405363
C -1.938847 0.448512 -0.284234
C 1.729882 -0.621139 0.659315
C 0.751888 1.745673 0.413410
C -0.822319 -1.835373 0.095905
C -1.759465 1.942430 0.021722
C -0.567967 2.498638 0.350745
C 1.628727 -2.028597 0.030701
C 0.279700 -2.633126 -0.084529
C -1.981508 0.248935 -1.831461
C 1.684823 -0.766286 2.203186
C 1.735780 2.434309 -0.584805
C -3.326914 0.084238 0.275786
C 0.204638 -4.103163 -0.436101
C 2.826063 3.296480 0.017642
H 0.721119 0.184749 -1.057583
H -0.946115 -0.235186 1.497858
H 1.178758 1.860931 1.428939
H -1.817651 -2.296179 0.028552
H -2.656990 2.567242 -0.068258
H -0.523854 3.579940 0.542615
H -1.056255 0.639606 -2.285917
H -2.088419 -0.819257 -2.095109
H -2.837626 0.797278 -2.257258
H 0.753590 -1.237841 2.562570
H 2.537065 -1.386968 2.529920
H 1.789742 0.223120 2.680641
H 3.580737 -0.767004 -0.070243
H 0.725385 -4.718661 0.320252
H 0.715519 -4.297730 -1.396325
H -0.840865 -4.446103 -0.513242
H 2.411598 4.006921 0.758052
H 3.525482 2.628015 0.554831
H 3.369340 3.845547 -0.766724
H -4.215176 -0.801052 1.788592


