%chk=000259140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259140

0 1
O -0.052759 -1.273735 0.524028
O -1.482053 2.042410 1.452317
O 0.707434 1.219889 -1.211130
O -2.275337 -0.208003 -1.180569
O -2.766002 -2.728437 1.832405
O -2.067568 -3.124150 -0.288889
O 3.202638 -0.257760 2.224847
O -2.318234 3.830970 0.348710
O 2.000902 3.039415 -0.825835
O -4.456783 -0.673251 -0.806700
O 5.600002 -2.026114 -1.258078
N 2.094166 -0.616427 0.228068
N 4.426822 -1.149312 0.471330
C -1.200481 1.367462 0.194562
C 0.325980 1.176704 0.186754
C -2.081033 0.105215 0.220587
C 0.818643 -0.153270 0.813357
C -1.407698 -1.066758 0.957577
C -2.077765 -2.418663 0.683216
C 3.262158 -0.656527 1.079002
C 2.108819 -1.132276 -1.082033
C -2.048547 3.320786 1.404036
C 1.587949 2.230316 -1.614592
C -3.539936 -0.631754 -1.588731
C 3.256901 -1.604158 -1.622490
C 4.512223 -1.644936 -0.891802
C -2.207492 3.807263 2.794829
C 1.843803 2.060880 -3.064866
C -3.470859 -0.974578 -3.028601
C -3.563179 -3.945675 1.816059
H -1.500156 2.014248 -0.676677
H 0.816281 2.034642 0.729512
H -3.076253 0.328960 0.691865
H 0.913335 -0.044327 1.930650
H -1.406354 -0.856288 2.061362
H 1.139857 -1.107215 -1.612538
H 5.281685 -1.168764 1.048366
H 3.293114 -2.002093 -2.637884
H -1.611712 4.722298 2.959436
H -3.259349 4.067217 3.003504
H -1.889252 3.066489 3.547992
H 2.883472 1.734295 -3.243857
H 1.711461 3.016567 -3.600698
H 1.178030 1.317034 -3.533267
H -4.401731 -0.700428 -3.549638
H -3.328138 -2.064795 -3.153271
H -2.625577 -0.486149 -3.540928
H -4.465646 -3.761452 1.224062
H -2.981078 -4.775785 1.402031
H -3.792402 -4.094180 2.877010


%chk=000259140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259140

0 1
O 0.069804 -1.287207 0.440053
O -1.012221 1.876975 1.674619
O 0.717404 0.886687 -1.466006
O -2.091619 -0.063473 -1.300773
O -3.094674 -2.363192 1.644918
O -1.970373 -3.115502 -0.263297
O 3.168108 0.549491 2.237091
O -2.872235 3.207311 1.202381
O 0.652616 3.190045 -1.822812
O -4.250726 -0.866114 -0.908405
O 6.146625 -1.717895 -0.575237
N 2.300826 -0.574315 0.357728
N 4.618370 -0.609464 0.802377
C -1.001320 1.422923 0.255666
C 0.490110 1.123612 -0.025403
C -1.927334 0.193742 0.149728
C 0.946346 -0.145915 0.726467
C -1.301304 -1.021776 0.887782
C -2.115678 -2.294944 0.663365
C 3.360221 -0.163273 1.212601
C 2.518870 -1.360455 -0.776313
C -2.010634 2.826908 2.017796
C 0.789406 2.036116 -2.280209
C -3.322833 -0.622117 -1.708414
C 3.774557 -1.775332 -1.141724
C 4.944184 -1.407570 -0.346897
C -1.831121 3.271694 3.447407
C 1.046021 1.640569 -3.713230
C -3.307887 -0.888348 -3.191592
C -4.147937 -3.390518 1.436635
H -1.374981 2.232516 -0.393692
H 1.084070 1.995741 0.304179
H -2.916608 0.415298 0.590640
H 0.954958 0.094183 1.808262
H -1.309744 -0.777608 1.970255
H 1.615033 -1.629219 -1.324324
H 5.404742 -0.327252 1.396696
H 3.928978 -2.399597 -2.021749
H -0.947964 3.931660 3.520112
H -2.721179 3.825468 3.778534
H -1.649152 2.407155 4.106501
H 2.001060 1.092199 -3.790859
H 1.081766 2.538268 -4.346342
H 0.249323 0.962018 -4.064376
H -4.337331 -1.007922 -3.559425
H -2.751296 -1.825396 -3.376106
H -2.796604 -0.077663 -3.734473
H -4.743414 -3.110737 0.552079
H -3.689996 -4.382428 1.290658
H -4.754930 -3.359548 2.351530


