%chk=000253633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253633

0 1
O 5.276132 1.414533 -0.149847
O -4.678531 -0.463241 -1.465063
C -0.085081 0.328956 -0.263090
C 0.849416 -0.831019 0.196590
C -1.502607 0.185661 0.384999
C 2.209207 -0.625489 -0.484522
C 2.864106 0.716892 -0.028238
C -2.072513 -1.204818 -0.042142
C 0.545631 1.712070 0.013442
C 0.244597 -2.199109 -0.165282
C 1.975141 1.862225 -0.537254
C -1.163798 -2.356884 0.418517
C 3.323903 -1.668459 -0.285889
C -2.446563 1.275649 -0.190787
C 4.259660 0.596985 -0.723486
C 4.621240 -0.910407 -0.645953
C -3.513843 -1.408585 0.452457
C -3.904399 1.109491 0.273701
C -1.420154 0.325347 1.913391
C 3.051762 0.826001 1.491521
C -4.450337 -0.301734 -0.056097
C -4.803339 2.180017 -0.348578
H -0.212592 0.237303 -1.370068
H 0.971021 -0.781803 1.304858
H 2.019621 -0.559879 -1.588058
H -2.098769 -1.223582 -1.162607
H 0.554660 1.905066 1.104797
H -0.092238 2.502124 -0.426886
H 0.898482 -3.007656 0.211638
H 0.213830 -2.325585 -1.264152
H 1.957127 1.875494 -1.642575
H 2.395846 2.839253 -0.234364
H -1.593393 -3.326291 0.103000
H -1.118409 -2.393341 1.523176
H 3.176926 -2.550999 -0.927023
H 3.351320 -2.037990 0.752162
H -2.403107 1.266895 -1.295435
H -2.085581 2.277822 0.108999
H 4.239370 0.970725 -1.769186
H 5.411211 -1.081701 0.102621
H 5.036334 -1.258728 -1.604923
H -3.894342 -2.387742 0.100494
H -3.544302 -1.449214 1.556488
H -3.932129 1.224600 1.386895
H -0.729561 -0.408142 2.345266
H -1.066797 1.320334 2.204535
H -2.396394 0.173167 2.385579
H 3.629898 -0.011804 1.893446
H 3.562953 1.759384 1.754564
H 2.086341 0.828881 2.012987
H -5.481130 -0.431824 0.347538
H -4.943388 2.002821 -1.424082
H -5.801631 2.175545 0.102848
H -4.387913 3.184364 -0.223977
H 5.412048 1.210041 0.795788
H -3.844541 -0.355224 -1.963235


%chk=000253633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253633

0 1
O 5.293772 1.532987 -0.508602
O -4.632036 -0.424167 -1.669400
C -0.089316 0.337934 -0.142272
C 0.855795 -0.846086 0.264003
C -1.539844 0.185504 0.458765
C 2.225740 -0.636900 -0.412989
C 2.904820 0.716291 -0.038346
C -2.097983 -1.207399 -0.012844
C 0.565882 1.723329 0.133579
C 0.233751 -2.214455 -0.113528
C 1.979018 1.865215 -0.493155
C -1.199776 -2.381898 0.433799
C 3.350638 -1.690620 -0.223950
C -2.482444 1.283871 -0.130959
C 4.236248 0.570660 -0.841422
C 4.653555 -0.926993 -0.640849
C -3.584388 -1.422186 0.362345
C -3.982752 1.098647 0.226633
C -1.515860 0.307016 2.008680
C 3.235700 0.848285 1.471971
C -4.493406 -0.305212 -0.197180
C -4.852258 2.225686 -0.368152
H -0.210359 0.260116 -1.250204
H 1.000456 -0.832779 1.365006
H 2.024013 -0.579766 -1.509192
H -2.037998 -1.190674 -1.129421
H 0.630852 1.899953 1.224772
H -0.079447 2.524896 -0.271867
H 0.882352 -3.033370 0.254166
H 0.209039 -2.302171 -1.221624
H 1.889957 1.839355 -1.599897
H 2.414812 2.848695 -0.229809
H -1.633470 -3.336240 0.073365
H -1.181741 -2.444620 1.540839
H 3.184298 -2.592850 -0.838052
H 3.403762 -2.021501 0.831091
H -2.368308 1.302837 -1.238650
H -2.167772 2.284391 0.222490
H 4.038494 0.780963 -1.908798
H 5.430477 -0.995961 0.145905
H 5.102178 -1.336358 -1.562321
H -3.930363 -2.394245 -0.039776
H -3.699121 -1.472186 1.463770
H -4.078246 1.141458 1.332064
H -0.780517 -0.373913 2.471174
H -1.255154 1.336750 2.314222
H -2.498166 0.074701 2.455819
H 3.929591 0.060440 1.821193
H 3.703205 1.831465 1.668086
H 2.334231 0.785838 2.103523
H -5.532772 -0.443579 0.151896
H -4.846475 2.180746 -1.471759
H -5.904621 2.131562 -0.040399
H -4.483546 3.220088 -0.053825
H 5.643722 1.316230 0.392814
H -3.727821 -0.383384 -2.073228


