%chk=000117856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117856

0 1
O -4.323638 0.259686 -1.120810
O -3.014229 0.800804 -1.150309
O -2.316057 -1.367291 -1.463736
C 5.321866 0.094286 0.402822
C 4.148431 0.666148 -0.438303
C 2.798029 -0.009024 -0.172231
C 1.689223 0.603076 -1.040266
C 5.532828 -1.399220 0.093359
C 6.602729 0.870313 0.026276
C 5.050186 0.278011 1.907444
C 0.339599 -0.073890 -0.772083
C -0.768389 0.537413 -1.637618
C -4.816886 0.205202 0.267867
C -2.070552 -0.191783 -1.423339
C -4.829847 1.610419 0.860006
C -6.219829 -0.330194 -0.038431
C -3.977393 -0.769045 1.085169
H 4.062587 1.752074 -0.242371
H 4.400195 0.575309 -1.512406
H 2.533608 0.085128 0.898995
H 2.874138 -1.096149 -0.371083
H 1.614932 1.690214 -0.844295
H 1.955196 0.506828 -2.111002
H 4.662619 -1.997364 0.382064
H 6.396418 -1.799974 0.633421
H 5.706471 -1.566635 -0.974116
H 6.841521 0.762609 -1.036031
H 7.467035 0.507093 0.591385
H 6.503241 1.939259 0.236971
H 4.172728 -0.291106 2.230419
H 4.871484 1.328343 2.156912
H 5.898345 -0.063082 2.509485
H 0.074903 0.017045 0.299812
H 0.410983 -1.163408 -0.975234
H -0.880420 1.622536 -1.426022
H -0.505841 0.469337 -2.716280
H -5.474218 2.282394 0.280467
H -5.181393 1.613552 1.895763
H -3.823360 2.048318 0.841315
H -6.181938 -1.364862 -0.403169
H -6.712623 0.266388 -0.817771
H -6.851310 -0.305537 0.855024
H -3.036714 -0.319911 1.419693
H -4.510527 -1.123659 1.971907
H -3.710531 -1.649652 0.476631


%chk=000117856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117856

0 1
O -4.461567 0.087459 -1.156878
O -3.087324 0.762392 -1.055214
O -2.160515 -1.411844 -1.232700
C 5.583940 0.045149 0.314455
C 4.317402 0.650502 -0.371357
C 2.974658 -0.070843 -0.113505
C 1.791028 0.620957 -0.828935
C 5.826513 -1.411545 -0.164083
C 6.807439 0.914365 -0.085968
C 5.438503 0.066405 1.859749
C 0.444969 -0.097511 -0.591110
C -0.729986 0.617138 -1.297711
C -5.173289 0.225277 0.168956
C -2.028460 -0.178500 -1.194116
C -5.426463 1.713958 0.471569
C -6.476633 -0.532145 -0.169301
C -4.373260 -0.477853 1.280797
H 4.219234 1.708112 -0.044952
H 4.497988 0.679731 -1.467310
H 2.765468 -0.105771 0.974447
H 3.035751 -1.122245 -0.458042
H 1.719498 1.673816 -0.484021
H 1.997388 0.663537 -1.919200
H 5.012094 -2.088060 0.153373
H 6.771044 -1.806538 0.255830
H 5.899750 -1.459796 -1.267512
H 6.951499 0.915936 -1.183311
H 7.735167 0.528889 0.377885
H 6.674425 1.963433 0.240764
H 4.612582 -0.583114 2.202721
H 5.241325 1.092325 2.225856
H 6.367506 -0.292482 2.342138
H 0.241604 -0.155450 0.496779
H 0.499993 -1.140311 -0.956080
H -0.882830 1.637800 -0.904193
H -0.504343 0.723787 -2.378468
H -6.012412 2.180276 -0.339228
H -5.985302 1.822161 1.419186
H -4.470417 2.256333 0.566591
H -6.266560 -1.590898 -0.396203
H -6.979894 -0.076510 -1.039312
H -7.159972 -0.482563 0.697257
H -3.447278 0.077391 1.512366
H -4.975995 -0.533178 2.205563
H -4.100667 -1.499973 0.968729


