%chk=000254633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254633

0 1
O 3.162962 -0.131261 2.006852
O 0.024502 -1.729987 -1.844071
O -3.621503 2.927940 -0.073132
O 5.191769 0.440600 -0.699131
O -5.824475 -1.058460 1.594536
O 5.846549 -2.154657 -0.212362
C 1.942331 -0.003377 -0.148016
C 0.925081 1.078524 0.335257
C -0.389139 0.981332 -0.453772
C -1.018731 -0.402963 -0.118249
C 3.211558 0.419341 0.679286
C -2.417178 -0.569394 -0.797739
C 1.365545 -1.385335 0.185955
C -0.044937 -1.571245 -0.411319
C 1.734546 2.386624 0.308377
C 3.164289 1.965655 0.716354
C -1.327825 2.140641 -0.084231
C 2.276617 0.096465 -1.638554
C -3.266158 0.588813 -0.269262
C -2.740216 1.952272 -0.665826
C -3.064195 -1.934721 -0.439624
C -2.337441 -0.486028 -2.330215
C 4.530477 -0.144501 0.126353
C -3.713592 -1.974765 0.941022
C -4.322129 0.442506 0.537697
C -4.751291 -0.872169 1.065502
C 4.970679 -1.485792 0.689612
H 0.679033 0.870613 1.409982
H -0.179772 1.015151 -1.552712
H -1.202831 -0.433062 0.988702
H 1.334507 -1.528931 1.284934
H 2.035804 -2.184761 -0.183875
H -0.487789 -2.525014 -0.027080
H 1.320606 3.141460 0.994988
H 1.729190 2.843966 -0.696275
H 3.915739 2.390820 0.021274
H 3.435222 2.339788 1.717517
H -0.899467 3.097560 -0.433369
H -1.415596 2.238931 1.017836
H 2.760516 1.046806 -1.895967
H 2.952756 -0.700990 -1.965693
H 1.363193 0.019748 -2.251648
H -2.764767 2.093150 -1.769982
H -2.311356 -2.742770 -0.530175
H -3.836625 -2.177573 -1.200453
H -1.727626 0.356288 -2.673454
H -1.849837 -1.385229 -2.743050
H -3.328688 -0.401945 -2.785906
H 2.489477 0.330421 2.549186
H -2.964160 -1.855690 1.747195
H -4.187584 -2.961147 1.120621
H 0.820513 -2.235736 -2.099877
H -4.914808 1.303038 0.871601
H -3.399054 3.823534 -0.388911
H 4.130084 -2.193401 0.832616
H 5.473710 -1.341419 1.669204
H 6.479011 -1.507066 -0.615029


%chk=000254633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254633

0 1
O 2.968305 -0.049700 2.103160
O 0.022907 -1.760991 -2.052868
O -3.677492 2.964692 0.100262
O 5.253112 0.233846 -0.596312
O -5.443698 -1.127907 2.193483
O 6.139888 -2.085684 0.417492
C 1.977171 -0.009088 -0.241464
C 0.950851 1.093870 0.175687
C -0.396642 0.994047 -0.571655
C -1.017494 -0.410730 -0.273223
C 3.192403 0.408225 0.712085
C -2.481014 -0.546716 -0.872643
C 1.360067 -1.395467 0.046582
C -0.049937 -1.582535 -0.584010
C 1.774088 2.403541 0.129217
C 3.199924 1.969230 0.611655
C -1.344577 2.133147 -0.110098
C 2.414091 0.117441 -1.725640
C -3.281313 0.581982 -0.201021
C -2.823108 1.976775 -0.571379
C -3.143254 -1.919248 -0.549368
C -2.527203 -0.381958 -2.424115
C 4.518488 -0.239871 0.317184
C -3.580534 -2.085150 0.919974
C -4.236779 0.377094 0.758170
C -4.520006 -0.951882 1.341586
C 4.961314 -1.512541 1.033159
H 0.695079 0.904019 1.248253
H -0.215521 1.088247 -1.659739
H -1.145108 -0.453305 0.832983
H 1.274471 -1.533246 1.142281
H 2.018960 -2.210697 -0.320490
H -0.477722 -2.510635 -0.146002
H 1.343977 3.192076 0.770573
H 1.811050 2.802344 -0.901099
H 3.983851 2.286116 -0.096585
H 3.460913 2.393246 1.598084
H -0.954855 3.109026 -0.463634
H -1.365319 2.167586 0.998882
H 2.954276 1.056875 -1.927886
H 3.100521 -0.705085 -1.996826
H 1.540899 0.049622 -2.392295
H -2.882003 2.121301 -1.670910
H -2.469236 -2.739153 -0.855491
H -4.043941 -2.009025 -1.188273
H -1.936503 0.473031 -2.792444
H -2.116384 -1.283860 -2.902455
H -3.574305 -0.240863 -2.751751
H 2.228750 0.474683 2.498970
H -2.704003 -2.068943 1.601276
H -4.092825 -3.049148 1.085753
H 0.731919 -2.423950 -2.252007
H -4.782843 1.230775 1.171877
H -3.391914 3.872648 -0.171585
H 4.137949 -2.252902 1.028307
H 5.148792 -1.257274 2.096197
H 6.469012 -1.425334 -0.256366


