%chk=000276856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276856

0 1
O -0.741533 0.331556 1.589061
O 1.473604 -0.626218 1.230491
O -2.315514 1.444661 -2.670233
O -0.156287 -1.940353 -3.034373
O -4.786136 0.169706 -1.892994
O -0.917978 -4.358354 -1.646829
O 4.651328 5.242250 1.766011
N 5.162795 3.056248 1.461928
C -0.084213 0.291310 -1.230966
C -1.439806 0.579540 -0.626936
C 0.365098 -1.104875 -0.865922
C 0.973315 1.347714 -0.965365
C -1.753845 0.559259 0.691245
C 1.060126 -1.463867 0.247862
C -2.507311 0.926436 -1.602947
C 0.027348 -2.141736 -1.860832
C -3.113182 0.802278 1.223164
C 1.503686 -2.852131 0.522454
C 2.253870 1.155763 -1.516230
C 0.713874 2.520395 -0.244999
C -4.197023 0.818535 0.322227
C 0.953444 -3.900304 -0.244906
C -3.952285 0.587171 -1.135330
C -0.069735 -3.585149 -1.286993
C 2.995668 3.271199 -0.593668
C 3.257489 2.104701 -1.330245
C 1.718021 3.473901 -0.055535
C -3.347364 1.014380 2.586783
C 2.444081 -3.138164 1.517060
C -5.497601 1.029228 0.788663
C 1.342820 -5.220229 -0.010095
C 4.070149 4.295829 -0.380455
C -4.649811 1.238485 3.048477
C 2.840191 -4.463666 1.739859
C -5.722689 1.244472 2.153835
C 2.293988 -5.500051 0.980640
C 4.622457 4.269431 1.033904
H -0.223585 0.305632 -2.366867
H 2.460111 0.257647 -2.101785
H -0.277954 2.709452 0.164744
H 4.239628 1.943541 -1.771900
H 1.502124 4.381981 0.508418
H -2.516171 1.011630 3.294226
H 2.862869 -2.325695 2.115863
H -6.332238 1.020861 0.079913
H 0.899161 -6.027392 -0.599946
H 4.902067 4.178975 -1.107803
H 3.672190 5.319961 -0.578693
H -1.065100 0.209970 2.521987
H 1.136535 0.323223 1.100901
H -4.825016 1.408205 4.112300
H 3.577988 -4.683165 2.512651
H -6.737714 1.414888 2.516316
H 2.602937 -6.530847 1.157771
H 5.050792 2.201160 0.947045
H 5.501935 2.969319 2.407849


%chk=000276856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276856

0 1
O -1.002182 0.052482 1.630468
O 1.859600 -0.494497 1.131015
O -2.061033 1.441360 -2.795346
O -1.212497 -2.022488 -2.276938
O -4.754871 1.787198 -2.093181
O -0.398459 -4.651620 -1.768359
O 6.059810 4.900059 0.967496
N 5.252613 2.724511 1.025223
C -0.114266 0.265411 -1.092715
C -1.521490 0.610998 -0.607030
C 0.336672 -1.143124 -0.672205
C 0.934185 1.368852 -0.865728
C -1.960114 0.450342 0.693453
C 1.261494 -1.443569 0.323768
C -2.443401 1.155900 -1.623053
C -0.308335 -2.238250 -1.409832
C -3.348620 0.699191 1.140856
C 1.701853 -2.817472 0.642848
C 2.100621 1.370354 -1.678107
C 0.786139 2.407135 0.089900
C -4.317687 1.138745 0.188675
C 1.148932 -3.925648 -0.063481
C -3.926118 1.391193 -1.230897
C 0.120819 -3.702846 -1.119228
C 2.958574 3.384909 -0.547361
C 3.092521 2.357531 -1.521660
C 1.785160 3.395870 0.246699
C -3.756932 0.512055 2.486374
C 2.670493 -3.051724 1.649895
C -5.656802 1.360164 0.583543
C 1.568348 -5.242454 0.240858
C 4.046342 4.422985 -0.350493
C -5.097637 0.731352 2.872732
C 3.084861 -4.369183 1.945193
C -6.053973 1.153498 1.920813
C 2.535907 -5.468429 1.241840
C 5.203748 4.041255 0.608361
H -0.244889 0.200495 -2.193651
H 2.219165 0.594500 -2.443726
H -0.120184 2.458084 0.701866
H 3.976079 2.343776 -2.171473
H 1.646275 4.189515 0.990535
H -3.051914 0.197497 3.267422
H 3.088984 -2.199508 2.190627
H -6.366230 1.697194 -0.179291
H 1.120332 -6.068821 -0.320497
H 4.528422 4.679029 -1.312696
H 3.632730 5.366722 0.046465
H -1.395192 -0.213528 2.497978
H 1.513061 0.418962 0.921507
H -5.392760 0.576057 3.915487
H 3.836183 -4.539339 2.723820
H -7.092414 1.322397 2.222017
H 2.860505 -6.487916 1.474125
H 4.554777 2.040414 0.734957
H 6.014392 2.441122 1.640934


