%chk=000222808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222808

0 1
O -0.760466 -2.521840 0.452458
O 4.504115 -1.835794 -0.099136
O -5.380652 -0.311608 1.690491
C -0.064813 1.077194 -0.381818
C -0.876062 -0.221726 -0.093835
C 1.239593 1.040133 0.421726
C 2.123136 -0.162972 -0.035347
C -2.168506 -0.231864 -0.970637
C -0.015154 -1.499527 -0.260969
C 1.391448 -1.448027 0.366550
C -3.024183 1.037068 -0.646661
C 3.435788 0.117563 0.766424
C -0.904004 2.318996 -0.036184
C 2.197983 2.241277 0.353099
C -2.213132 2.334191 -0.832015
C 3.593574 1.656900 0.687498
C -3.050241 -1.481539 -0.715880
C 2.420850 -0.173694 -1.541593
C -1.810744 -0.236893 -2.471923
C -3.622015 1.000842 0.771367
C -3.604797 -1.563320 0.704845
C 4.629408 -0.701577 0.312252
C -4.321097 -0.298749 1.101271
C 5.991650 -0.081294 0.454665
H 0.176310 1.114275 -1.474698
H -1.201388 -0.206078 0.977569
H 0.968663 0.891361 1.498313
H 0.039661 -1.814634 -1.326211
H 1.301592 -1.521669 1.467487
H 1.989754 -2.330178 0.060298
H -3.877807 1.057811 -1.369917
H 3.266586 -0.171024 1.835927
H -0.325299 3.236634 -0.251910
H -1.118728 2.347185 1.049307
H 1.910041 3.032132 1.062670
H 2.193513 2.702974 -0.648252
H -2.824565 3.206250 -0.531274
H -1.997804 2.481407 -1.908119
H 4.321223 1.946873 -0.088570
H 3.973700 2.058161 1.640422
H -2.460270 -2.401597 -0.915294
H -3.887699 -1.494385 -1.439937
H 1.502700 -0.187669 -2.139304
H 2.993862 0.704916 -1.852171
H 3.003040 -1.064370 -1.816804
H -2.703619 -0.167889 -3.101499
H -1.159018 0.604118 -2.736628
H -1.285439 -1.156665 -2.752373
H -4.330355 1.844571 0.902310
H -2.827549 1.167773 1.529247
H -2.769353 -1.762779 1.416199
H -4.282587 -2.435041 0.806053
H -0.247085 -3.347664 0.509676
H 6.185646 0.638017 -0.352532
H 6.119321 0.447685 1.405726
H 6.779273 -0.847839 0.389340


%chk=000222808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222808

0 1
O -0.675709 -2.679342 0.146272
O 4.666352 -1.802335 -0.123956
O -5.421320 -0.284653 1.891980
C -0.065278 1.075243 -0.495927
C -0.861550 -0.253848 -0.198626
C 1.290440 1.052138 0.232701
C 2.191429 -0.150320 -0.183067
C -2.256251 -0.250011 -0.953850
C 0.026046 -1.510175 -0.445829
C 1.434180 -1.435511 0.202637
C -3.063554 1.036551 -0.535420
C 3.453920 0.170148 0.676157
C -0.893162 2.320965 -0.098729
C 2.232065 2.281236 0.126749
C -2.273835 2.343759 -0.786647
C 3.651049 1.721984 0.497957
C -3.165960 -1.480292 -0.634644
C 2.552229 -0.151165 -1.694538
C -2.056537 -0.259254 -2.497660
C -3.562830 0.984588 0.943400
C -3.630577 -1.581249 0.840449
C 4.703023 -0.689863 0.471466
C -4.312971 -0.299227 1.288235
C 6.005778 -0.167180 1.069555
H 0.130307 1.142721 -1.585812
H -1.062990 -0.259099 0.895528
H 1.065935 0.909600 1.316315
H 0.138811 -1.681754 -1.537175
H 1.296219 -1.470936 1.303848
H 2.018893 -2.331520 -0.087407
H -3.971321 1.054762 -1.176606
H 3.174007 -0.000794 1.743048
H -0.330819 3.236220 -0.366868
H -1.011486 2.343001 1.004807
H 1.924879 3.100590 0.799814
H 2.230451 2.688520 -0.901848
H -2.865467 3.209435 -0.427634
H -2.135917 2.489787 -1.876260
H 4.375605 1.933155 -0.309826
H 4.049813 2.186168 1.417147
H -2.643128 -2.412884 -0.899033
H -4.064324 -1.400966 -1.283135
H 1.655109 -0.219609 -2.333086
H 3.097185 0.763135 -1.991575
H 3.195502 -1.018327 -1.919569
H -3.031438 -0.130427 -3.004858
H -1.388480 0.540231 -2.860300
H -1.640035 -1.226128 -2.835188
H -4.221558 1.846385 1.154220
H -2.698092 1.057380 1.634302
H -2.741428 -1.769721 1.474575
H -4.324825 -2.427841 0.982988
H -0.048932 -3.447528 0.139208
H 6.389227 0.672957 0.458815
H 5.847869 0.225715 2.090789
H 6.761453 -0.968011 1.083810


