%chk=000197268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197268

0 1
O -4.600669 -0.315057 -1.460832
O -1.997559 2.349145 1.086314
O 0.261997 -3.477438 -0.244988
O -0.080864 2.271431 -1.187537
O 2.425599 -2.137689 -0.659491
O 4.884728 -0.680052 0.638720
C -4.558139 0.075925 -0.074439
C -3.801857 -1.010823 0.732381
C -3.821643 1.422361 -0.132761
C -2.347482 -1.069741 0.381954
C -1.647959 0.164270 0.218118
C -2.427548 1.417022 0.447695
C -0.305845 0.151425 -0.122858
C -5.991033 0.216404 0.442340
C 0.416412 -1.058542 -0.196137
C -1.687832 -2.276321 0.225470
C -0.305053 -2.270840 -0.081891
C 0.446321 1.388517 -0.553332
C 1.881550 -1.076088 -0.343365
C 1.912627 1.400361 -0.222112
C 2.621528 0.167842 -0.068199
C 3.973084 0.267101 0.299095
C 2.525017 2.630187 -0.097838
C 4.620930 1.544280 0.406304
C 3.907952 2.699600 0.205711
C 4.538675 -2.072239 0.837764
H -4.291757 -1.993666 0.582471
H -3.903420 -0.803885 1.821693
H -4.416085 2.232812 0.336309
H -3.738788 1.726494 -1.210473
H -6.027175 0.660895 1.443564
H -6.578354 0.865169 -0.223473
H -6.515512 -0.743154 0.491797
H -2.195763 -3.235241 0.316442
H -5.064014 -1.160927 -1.593861
H 1.952104 3.550647 -0.240702
H 1.263782 -3.408351 -0.539145
H 5.683541 1.554010 0.656590
H 4.390332 3.676226 0.282982
H 5.445593 -2.449671 1.327886
H 4.380371 -2.551140 -0.139667
H 3.663309 -2.171563 1.482301


%chk=000197268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197268

0 1
O -4.270392 0.093751 -1.570589
O -2.010756 2.117347 1.734696
O 0.285100 -3.522349 -0.332046
O -0.212863 2.466378 -0.525180
O 2.442710 -2.249462 -0.483976
O 4.948570 -0.835568 0.283235
C -4.570437 0.138847 -0.115580
C -3.918374 -1.086373 0.587526
C -3.914839 1.455015 0.372586
C -2.417982 -1.115747 0.356549
C -1.702402 0.123379 0.397942
C -2.477474 1.319838 0.875773
C -0.316509 0.139683 0.114776
C -6.096717 0.159388 0.095413
C 0.395771 -1.081639 -0.079477
C -1.739672 -2.315183 0.093224
C -0.336166 -2.322700 -0.102017
C 0.410208 1.413570 -0.191373
C 1.862156 -1.113464 -0.214695
C 1.910170 1.376913 -0.186930
C 2.632323 0.135580 -0.071268
C 4.066227 0.200578 0.011037
C 2.586239 2.602254 -0.338148
C 4.728011 1.444127 -0.189541
C 3.999447 2.629490 -0.372359
C 4.611048 -1.918849 1.226377
H -4.380424 -2.024816 0.227058
H -4.136539 -1.022251 1.673380
H -4.508624 1.923767 1.176541
H -3.904801 2.158666 -0.482601
H -6.358089 0.210264 1.168192
H -6.532915 1.036967 -0.412471
H -6.567429 -0.749707 -0.326068
H -2.271418 -3.270130 0.040842
H -4.617379 -0.756086 -1.947369
H 1.988720 3.512617 -0.439984
H 1.291246 -3.305890 -0.485081
H 5.821485 1.440883 -0.155801
H 4.529794 3.577627 -0.507029
H 5.577428 -2.221013 1.658561
H 4.131354 -2.749282 0.687504
H 3.935294 -1.546727 2.019169


