%chk=000231060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231060

0 1
O -0.191774 -1.594073 -1.735970
O -3.433401 -1.214739 -0.249246
O 2.825533 0.005453 -0.313841
O 0.991621 0.574142 1.549614
O -3.876291 0.281107 -1.885892
O 3.713722 -0.915718 -2.195107
C -1.081109 -1.256085 -0.728142
C -2.427368 -1.823059 -1.087790
C -0.732744 -0.553032 0.364576
C 1.544673 -0.462160 -0.538200
C 0.632145 -0.062980 0.588184
C -5.047949 0.427820 0.241435
C 1.125066 -1.176758 -1.604225
C 5.104755 0.371892 -0.666981
C -4.103051 -0.099748 -0.763254
C 3.879480 -0.262051 -1.193518
C -5.843737 1.529024 -0.119120
C -5.156192 -0.137047 1.521780
C 6.290237 0.235551 -1.410694
C 5.099463 1.091787 0.538540
C -6.746413 2.059633 0.803936
C -6.062025 0.400379 2.438807
C 7.467231 0.821347 -0.943704
C 6.283350 1.674400 0.997273
C -6.855126 1.496324 2.080696
C 7.463429 1.539681 0.258529
H -2.502377 -2.900107 -0.828694
H -2.664694 -1.667304 -2.164627
H -1.464699 -0.311988 1.140699
H 1.680796 -1.526020 -2.476655
H -5.748068 1.962036 -1.118870
H -4.531434 -0.992324 1.792606
H 6.280119 -0.327539 -2.347628
H 4.168529 1.191525 1.110004
H -7.364882 2.913838 0.529683
H -6.148888 -0.033673 3.434454
H 8.389060 0.719643 -1.515127
H 6.284040 2.234203 1.932346
H -7.560502 1.914336 2.800076
H 8.385673 1.996186 0.619951


%chk=000231060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231060

0 1
O -0.105158 -1.445071 -1.795438
O -3.384979 -0.774185 -0.345940
O 3.009337 0.106914 -0.421898
O 1.087578 1.309639 1.091628
O -4.759667 0.094553 -2.028960
O 4.046950 -1.285628 -2.005076
C -1.050627 -0.792282 -0.995927
C -2.440416 -1.241762 -1.371656
C -0.685900 0.115390 -0.039164
C 1.678319 -0.251304 -0.676629
C 0.718171 0.471500 0.209945
C -5.423272 0.310972 0.313021
C 1.253149 -1.158010 -1.621051
C 5.381599 0.183961 -0.572416
C -4.542786 -0.103076 -0.810880
C 4.135681 -0.425157 -1.098508
C -6.616005 1.013225 -0.005587
C -5.104940 0.027716 1.667518
C 6.615799 -0.238787 -1.134777
C 5.362084 1.160947 0.459940
C -7.482547 1.430532 1.024162
C -5.976699 0.447917 2.693413
C 7.824911 0.312324 -0.667283
C 6.577487 1.707361 0.921065
C -7.164232 1.149110 2.374756
C 7.807414 1.286081 0.360857
H -2.487343 -2.345103 -1.407989
H -2.739164 -0.841367 -2.359881
H -1.456874 0.593044 0.568443
H 1.886896 -1.723842 -2.299556
H -6.840745 1.220061 -1.057083
H -4.186224 -0.516827 1.901401
H 6.604068 -0.992567 -1.929075
H 4.403503 1.475389 0.882615
H -8.401510 1.973083 0.778648
H -5.732154 0.231512 3.738677
H 8.777178 -0.012425 -1.099659
H 6.566990 2.460481 1.715917
H -7.838184 1.475012 3.174828
H 8.748510 1.714573 0.723503


