%chk=000254479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254479

0 1
O -0.379725 2.087213 1.377158
O -3.816792 -1.601679 0.097359
O -2.979442 -0.704294 -1.797817
O 0.908353 -0.978036 -1.735467
O 3.423404 1.130486 1.547521
N 1.986736 0.406261 -0.177339
N -1.068208 0.590715 -0.212085
C 1.201100 1.645096 -0.431373
C -2.415251 0.344683 0.362143
C 1.907548 2.928182 0.067935
C 0.989723 1.893663 -1.945743
C 1.378169 4.062882 -0.823312
C 0.776882 3.409047 -2.083967
C -2.371052 -0.149522 1.825880
C -3.306964 1.614481 0.393466
C -0.154474 1.485027 0.343099
C -3.724056 0.260361 2.431052
C -4.274998 1.418219 1.571681
C -3.077433 -0.681922 -0.590985
C 1.748182 -0.831635 -0.883344
C 3.031542 0.261066 0.819585
C 2.727006 -1.813182 -0.314019
C 3.482919 -1.167814 0.701623
C 2.940641 -3.136633 -0.634650
C 4.456884 -1.842302 1.405663
C -4.554699 -2.602758 -0.679258
C 3.941192 -3.832471 0.085224
C 4.679588 -3.201863 1.080004
C -5.815012 -1.983832 -1.245411
H 3.005614 2.838616 -0.017541
H 1.703352 3.109170 1.143251
H 1.887855 1.576155 -2.509441
H 0.157566 1.308770 -2.374336
H 0.611790 4.650690 -0.286279
H 2.184938 4.768379 -1.081222
H 1.252456 3.791843 -3.002101
H -0.297995 3.647062 -2.171017
H -2.195352 -1.234050 1.893989
H -1.539929 0.351731 2.365503
H -3.827306 1.789803 -0.560074
H -2.667189 2.504416 0.570861
H -0.861297 0.139264 -1.119806
H -3.609594 0.561746 3.484775
H -4.423264 -0.595637 2.414937
H -5.291914 1.185742 1.213053
H -4.355835 2.345478 2.164459
H 2.361601 -3.634446 -1.413799
H 5.037767 -1.350869 2.187654
H -4.750409 -3.360721 0.100676
H -3.886797 -3.002766 -1.462977
H 4.128010 -4.881403 -0.151413
H 5.445953 -3.755757 1.625207
H -5.577933 -1.250528 -2.031371
H -6.387303 -1.455628 -0.471976
H -6.470451 -2.741800 -1.689837


%chk=000254479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254479

0 1
O -0.418911 2.292003 1.310353
O -4.188016 -1.289020 0.150880
O -2.474950 -1.288444 -1.421326
O 0.904308 -1.090926 -1.739891
O 3.369267 1.084531 1.662251
N 1.996055 0.371698 -0.188958
N -1.045471 0.551987 -0.113326
C 1.192546 1.609347 -0.453739
C -2.372447 0.287725 0.490998
C 1.937286 2.911586 -0.040051
C 0.953921 1.851071 -1.980570
C 1.264923 4.042597 -0.872674
C 0.504184 3.331654 -2.039619
C -2.296982 -0.113761 2.004832
C -3.315329 1.544914 0.503359
C -0.170447 1.513873 0.336093
C -3.650101 0.305126 2.644222
C -4.330790 1.305458 1.649562
C -2.986677 -0.832162 -0.368854
C 1.794649 -0.866250 -0.877352
C 3.008550 0.222214 0.829036
C 2.806042 -1.824274 -0.339894
C 3.526270 -1.176764 0.687268
C 3.065163 -3.157557 -0.692169
C 4.536531 -1.836168 1.402912
C -4.888710 -2.359075 -0.632653
C 4.089977 -3.833702 0.019742
C 4.814216 -3.183049 1.051659
C -5.724133 -1.749599 -1.760720
H 3.003837 2.806896 -0.307772
H 1.870629 3.089897 1.041215
H 1.924960 1.721683 -2.496800
H 0.237933 1.159377 -2.446776
H 0.565413 4.617080 -0.242456
H 2.025495 4.747872 -1.252032
H 0.722996 3.777586 -3.025655
H -0.588878 3.402166 -1.886818
H -2.073903 -1.187124 2.133240
H -1.469956 0.468046 2.444441
H -3.794364 1.712130 -0.477855
H -2.674474 2.412620 0.731908
H -0.784728 -0.047509 -0.913371
H -3.477959 0.769754 3.631373
H -4.299460 -0.573108 2.795987
H -5.262390 0.865267 1.256080
H -4.593055 2.259755 2.140393
H 2.493865 -3.649052 -1.485733
H 5.083262 -1.324197 2.200918
H -5.512464 -2.858860 0.125274
H -4.128420 -3.056608 -1.025339
H 4.325614 -4.874397 -0.227321
H 5.597563 -3.731696 1.585545
H -5.076891 -1.269399 -2.513223
H -6.435412 -1.002865 -1.367082
H -6.304038 -2.545650 -2.263713


