%chk=000258657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258657

0 1
O 4.699121 1.172441 -0.553554
O 3.134025 -2.135889 -0.365790
O 2.947501 1.498175 1.937218
O 4.150932 3.150009 0.370916
O 6.295120 -0.607377 -2.398141
O 0.227967 -1.869603 -0.331985
O -3.894072 -2.370502 0.640020
O -3.163585 -0.951763 2.293476
N 1.222026 -0.498647 1.189696
N -1.792689 -2.643476 1.418078
C 2.131578 0.062990 0.170108
C 3.412127 -0.801955 0.029619
C 2.507052 1.511405 0.580929
C 4.343207 -0.150326 -1.023085
C 3.589319 2.081345 -0.372355
C 5.687854 -0.882784 -1.134938
C 0.314946 -1.486166 0.827974
C -0.551053 -2.051627 1.953278
C 5.212234 3.869446 -0.303637
C -2.956759 -1.858057 1.511683
C -5.232480 -1.774420 0.690726
C -5.277486 -0.560809 -0.192417
C -5.758940 -0.659777 -1.505300
C -4.838923 0.677524 0.300316
C -5.813824 0.478388 -2.315391
C -4.894647 1.811332 -0.513286
C -5.384609 1.713784 -1.820232
H 1.588364 0.080142 -0.818684
H 3.934319 -0.920409 1.008795
H 1.603344 2.168928 0.597388
H 3.859577 -0.064429 -2.020060
H 3.217579 2.396411 -1.364287
H 1.389751 -0.203689 2.153102
H 5.533454 -1.983880 -1.155222
H 6.373610 -0.602198 -0.315543
H 2.315177 -2.196253 -0.925975
H 3.925298 1.665412 1.986916
H 6.551065 0.338998 -2.447063
H 0.017236 -2.861972 2.477768
H -0.796394 -1.283319 2.730853
H 6.033784 3.187413 -0.545179
H 4.822028 4.366122 -1.195501
H 5.512844 4.599108 0.459077
H -1.666387 -3.201866 0.561405
H -5.489375 -1.547554 1.743214
H -5.845316 -2.618284 0.319876
H -6.085391 -1.621161 -1.898722
H -4.442730 0.745352 1.318477
H -6.189251 0.400798 -3.334234
H -4.555606 2.771679 -0.128512
H -5.429822 2.598894 -2.452211


%chk=000258657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258657

0 1
O 5.670834 0.626306 0.072392
O 3.074337 -1.511337 -1.490465
O 3.374467 1.769615 1.699027
O 5.625314 2.873070 0.777524
O 7.310318 -1.369614 -1.093047
O 0.454793 -0.848359 -1.150851
O -3.827127 -2.023945 0.149753
O -3.394910 -0.506621 1.916407
N 1.509577 0.587609 0.344133
N -1.832342 -0.937339 0.231838
C 2.782791 0.711659 -0.404398
C 3.587960 -0.626480 -0.450823
C 3.536317 1.898482 0.247344
C 5.061832 -0.383702 -0.833590
C 5.034133 1.927163 -0.125892
C 5.925415 -1.639151 -0.699153
C 0.435371 -0.130615 -0.088289
C -0.831598 -0.027128 0.767432
C 7.068579 3.095514 0.578767
C -3.042066 -1.095867 0.856020
C -5.210434 -2.237128 0.695227
C -6.208760 -1.269981 0.094865
C -6.939294 -1.620887 -1.068749
C -6.428690 -0.001342 0.692568
C -7.871818 -0.720521 -1.630818
C -7.360440 0.899582 0.131404
C -8.084606 0.542477 -1.030579
H 2.547983 0.968136 -1.458041
H 3.537360 -1.098844 0.553880
H 3.081668 2.855157 -0.086085
H 5.106403 -0.013198 -1.881255
H 5.170036 2.235022 -1.191605
H 1.526695 1.012213 1.280499
H 5.549910 -2.413574 -1.383497
H 5.870776 -2.012575 0.345700
H 2.069793 -1.421838 -1.532318
H 4.125791 2.262586 2.123784
H 7.620227 -0.598781 -0.550745
H -0.600423 -0.269804 1.824186
H -1.198134 1.019726 0.762618
H 7.640974 2.191246 0.845767
H 7.275657 3.375362 -0.472833
H 7.333688 3.928722 1.246054
H -1.603562 -1.434015 -0.634974
H -5.158773 -2.137884 1.793231
H -5.427346 -3.278806 0.410617
H -6.774308 -2.599954 -1.535557
H -5.855063 0.272336 1.585308
H -8.432087 -1.002325 -2.529440
H -7.524428 1.876545 0.599977
H -8.809688 1.240994 -1.463713


