%chk=000229122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229122

0 1
O 3.744320 0.928535 -0.487189
O 3.708240 -1.091665 0.693952
C 5.887423 -0.174017 0.011224
C 5.084020 0.712510 -0.974001
C 5.045495 -1.445519 0.287809
C 2.999022 -0.279354 -0.257137
C 1.722229 0.158705 0.453117
C 0.464234 -0.264183 -0.308926
C -0.805551 0.187805 0.425350
C 6.119876 0.587122 1.320070
C 7.221382 -0.573381 -0.631063
C -2.070708 -0.233353 -0.334178
C -3.340541 0.218420 0.399799
C -4.606512 -0.202095 -0.358954
C -5.876407 0.249198 0.375236
C -7.142260 -0.171156 -0.383384
C -8.413382 0.279936 0.349919
C -9.676652 -0.135681 -0.400834
H 5.030940 0.274192 -1.983987
H 5.479113 1.741549 -1.034932
H 5.412078 -2.013418 1.160650
H 4.988442 -2.109279 -0.590362
H 2.883144 -0.832646 -1.206989
H 1.722558 -0.263995 1.481977
H 1.749911 1.262222 0.589843
H 0.479168 0.164900 -1.330293
H 0.451729 -1.364714 -0.436176
H -0.820645 -0.237389 1.447760
H -0.793228 1.287333 0.556627
H 6.686224 1.509637 1.163983
H 6.658961 -0.016064 2.056073
H 5.149881 0.864145 1.764203
H 7.085322 -1.119834 -1.569845
H 7.809588 -1.211887 0.038453
H 7.836731 0.307219 -0.849733
H -2.083231 -1.332656 -0.465057
H -2.055833 0.192127 -1.356186
H -3.328386 1.317670 0.531223
H -3.355864 -0.206709 1.421953
H -4.618871 -1.301244 -0.490580
H -4.591726 0.223475 -1.380854
H -5.864141 1.348345 0.506979
H -5.891329 -0.176345 1.397156
H -7.128755 0.253540 -1.405481
H -7.156083 -1.270042 -0.515627
H -8.401691 1.379668 0.481187
H -8.429177 -0.146157 1.372157
H -9.711421 0.301554 -1.405130
H -9.738309 -1.223824 -0.515468
H -10.578027 0.189897 0.130167


%chk=000229122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229122

0 1
O 3.862703 1.070047 -0.355027
O 3.780523 -0.981914 0.921883
C 5.979410 -0.236451 -0.025137
C 5.148960 0.679193 -0.966828
C 5.064156 -1.434482 0.349401
C 3.069357 -0.120732 -0.030130
C 1.750747 0.323686 0.605132
C 0.502443 -0.117076 -0.192284
C -0.816979 0.303822 0.491448
C 6.397922 0.538316 1.246561
C 7.220489 -0.758862 -0.784808
C -2.077608 -0.120220 -0.295019
C -3.396093 0.262412 0.414532
C -4.660062 -0.150036 -0.373188
C -5.976732 0.206216 0.353576
C -7.242851 -0.196571 -0.435802
C -8.558403 0.148682 0.299248
C -9.818535 -0.252629 -0.498003
H 4.953200 0.151099 -1.928839
H 5.673975 1.626552 -1.174963
H 5.524836 -2.066175 1.127244
H 4.866321 -2.054930 -0.555144
H 2.929193 -0.703815 -0.975813
H 1.711808 -0.093913 1.628145
H 1.772729 1.425038 0.697787
H 0.541278 0.316431 -1.212879
H 0.511887 -1.219910 -0.314828
H -0.855193 -0.136724 1.509831
H -0.823372 1.405331 0.629567
H 7.033525 1.405762 0.986864
H 6.973624 -0.112970 1.930873
H 5.509003 0.907869 1.784474
H 6.938798 -1.309558 -1.703148
H 7.812944 -1.441572 -0.147104
H 7.881161 0.077948 -1.079855
H -2.055941 -1.218398 -0.457416
H -2.054690 0.343437 -1.303490
H -3.414204 1.358838 0.588251
H -3.420129 -0.210822 1.418584
H -4.632289 -1.243528 -0.563887
H -4.647086 0.339016 -1.369778
H -6.001442 1.298346 0.552355
H -5.991392 -0.289925 1.346728
H -7.234793 0.306552 -1.425493
H -7.215984 -1.287273 -0.642269
H -8.582929 1.237798 0.508566
H -8.566738 -0.357174 1.286370
H -9.847570 0.261740 -1.477236
H -9.834007 -1.341904 -0.692118
H -10.744670 0.006532 0.047570


