%chk=000229798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229798

0 1
O 2.116282 -0.062417 0.442400
O 3.138788 0.935741 -1.307125
C -2.083516 0.091260 0.231098
C -3.570541 0.055843 -0.211437
C -1.384313 -1.255246 -0.058308
C -1.315560 1.223495 -0.485443
C -4.339132 -1.075618 0.505417
C -4.270318 1.401824 0.077266
C 0.079428 -1.236972 0.394545
C 0.149731 1.276760 -0.041021
C 0.823512 -0.077584 -0.271474
C -5.807464 -1.118911 0.060727
C -5.738305 1.372549 -0.369597
C -6.504283 0.226520 0.305216
C 3.208216 0.483713 -0.187975
C 4.384616 0.410754 0.745127
C 5.690365 0.216332 -0.033142
C 6.906631 0.253915 0.900741
C 8.207723 0.048225 0.129134
H -2.044823 0.279668 1.330935
H -3.609514 -0.132932 -1.311105
H -1.443285 -1.485382 -1.139409
H -1.916145 -2.079342 0.455989
H -1.796436 2.199890 -0.281051
H -1.372300 1.083230 -1.582137
H -4.284088 -0.930109 1.600751
H -3.861377 -2.052411 0.301452
H -3.742521 2.226252 -0.438477
H -4.212603 1.629808 1.158280
H 0.146445 -1.135963 1.496589
H 0.575180 -2.195902 0.154071
H 0.693905 2.065880 -0.596430
H 0.221602 1.552763 1.028959
H 1.030752 -0.261658 -1.347067
H -6.339550 -1.923068 0.601980
H -5.866499 -1.380983 -1.013055
H -5.793252 1.262589 -1.469638
H -6.221139 2.339084 -0.134069
H -7.542330 0.190011 -0.073061
H -6.579574 0.416512 1.392951
H 4.418524 1.348473 1.341723
H 4.238425 -0.404312 1.486597
H 5.662273 -0.744937 -0.583490
H 5.780626 1.000973 -0.813695
H 6.808668 -0.524711 1.682703
H 6.941219 1.221830 1.438759
H 8.226384 -0.920590 -0.383480
H 8.352922 0.823047 -0.633052
H 9.074753 0.081306 0.798628


%chk=000229798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229798

0 1
O 2.176756 -0.305450 0.656403
O 3.131027 0.661668 -1.243825
C -2.156272 0.038260 0.333011
C -3.616567 0.059034 -0.229400
C -1.467672 -1.340334 0.127444
C -1.267744 1.151111 -0.290850
C -4.504837 -1.044941 0.412628
C -4.294269 1.445413 -0.040134
C -0.012639 -1.369516 0.658373
C 0.185817 1.124060 0.241887
C 0.817693 -0.256764 0.012570
C -5.966615 -1.012734 -0.094652
C -5.756493 1.474031 -0.545839
C -6.611353 0.374068 0.121696
C 3.245679 0.219756 -0.075766
C 4.522640 0.191162 0.749936
C 5.802859 0.227248 -0.110418
C 7.080313 0.382645 0.744092
C 8.366020 0.401451 -0.110442
H -2.216833 0.227163 1.429680
H -3.559654 -0.143898 -1.323949
H -1.473817 -1.583915 -0.956505
H -2.037841 -2.138658 0.635243
H -1.693316 2.149889 -0.086860
H -1.260375 1.027616 -1.394969
H -4.499048 -0.906212 1.515656
H -4.079531 -2.046551 0.214916
H -3.719784 2.229749 -0.566874
H -4.275988 1.705020 1.040526
H -0.011090 -1.221727 1.756503
H 0.453059 -2.352743 0.459536
H 0.790888 1.902997 -0.256649
H 0.188989 1.336149 1.329742
H 0.955594 -0.432587 -1.072261
H -6.557806 -1.798567 0.415276
H -5.981799 -1.254027 -1.178185
H -5.764132 1.320077 -1.645402
H -6.198021 2.472981 -0.361163
H -7.643074 0.388121 -0.280602
H -6.686457 0.577905 1.210258
H 4.498141 1.076949 1.418841
H 4.499060 -0.691693 1.413968
H 5.869221 -0.700145 -0.713159
H 5.727937 1.060343 -0.834626
H 7.137616 -0.444120 1.481546
H 7.013790 1.320850 1.332807
H 8.475797 -0.539328 -0.682022
H 8.344529 1.234316 -0.838117
H 9.267706 0.523078 0.517430


