%chk=000228922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228922

0 1
O 2.078282 1.124156 -0.539280
O 2.126383 -0.906635 0.619271
C 4.269829 0.108337 -0.048798
C 5.617263 -0.221532 -0.726717
C 3.425188 0.965967 -1.027593
C 3.475951 -1.199476 0.204719
C 4.432517 0.856295 1.293262
C 1.380606 -0.113242 -0.319611
C 6.546630 -1.090162 0.130021
C 0.091032 0.267419 0.400531
C 5.245094 2.143902 1.207737
C -1.153167 -0.194164 -0.361644
C 7.879055 -1.355432 -0.586353
C -2.436011 0.200879 0.382696
C -3.687455 -0.260223 -0.376349
C 8.809708 -2.221440 0.259450
C -4.970197 0.134925 0.367744
C -6.222431 -0.326646 -0.389945
C -7.504170 0.069844 0.354422
C -8.757922 -0.393017 -0.402184
C -10.014778 -0.004152 0.319312
C -11.093431 0.486888 -0.287869
H 6.133262 0.726963 -0.978916
H 5.433550 -0.725777 -1.695618
H 3.387761 0.533631 -2.040778
H 3.776651 2.012616 -1.078984
H 3.862204 -1.772688 1.065890
H 3.444426 -1.846905 -0.686983
H 4.887086 0.180089 2.042229
H 3.409409 1.083777 1.671809
H 1.281935 -0.660970 -1.274601
H 6.058297 -2.052360 0.374204
H 6.737874 -0.594462 1.102376
H 0.077406 1.369588 0.550174
H 0.111838 -0.166794 1.424336
H 6.278276 1.956958 0.895061
H 5.282748 2.643623 2.183042
H 4.803296 2.854898 0.499097
H -1.158733 0.246908 -1.378003
H -1.124339 -1.292840 -0.501698
H 7.693151 -1.848636 -1.560407
H 8.377101 -0.395030 -0.824058
H -2.465050 1.298634 0.525964
H -2.430136 -0.235544 1.400474
H -3.693159 0.176569 -1.393711
H -3.658324 -1.357738 -0.519163
H -4.999647 1.232628 0.510041
H -4.963952 -0.300422 1.385730
H 8.364231 -3.198046 0.480617
H 9.045148 -1.744928 1.218069
H 9.758877 -2.404006 -0.256954
H -6.193113 -1.424196 -0.532080
H -6.227800 0.109064 -1.407828
H -7.496644 -0.361356 1.374100
H -7.538045 1.168567 0.490980
H -8.742797 -1.497091 -0.524866
H -8.746988 0.017050 -1.432489
H -9.992949 -0.165826 1.398989
H -11.999508 0.749501 0.237393
H -11.158121 0.665859 -1.350558


%chk=000228922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228922

0 1
O 1.760447 0.359928 -0.352470
O 2.382609 -1.152661 1.421088
C 4.201554 -0.096318 0.043497
C 5.498930 -0.439918 -0.746436
C 3.080910 0.206075 -0.993538
C 3.725043 -1.348740 0.835249
C 4.380331 1.094782 1.032749
C 1.403154 -0.861149 0.373617
C 6.749180 -0.764793 0.105051
C 0.046465 -0.656619 1.033511
C 4.902830 2.409830 0.415384
C -1.113132 -0.542998 0.019831
C 7.981672 -1.097671 -0.767677
C -2.475125 -0.314282 0.711845
C -3.664362 -0.272492 -0.273540
C 9.239463 -1.420794 0.067069
C -5.023281 -0.039918 0.424802
C -6.222815 -0.040543 -0.549179
C -7.578604 0.183331 0.157306
C -8.782322 0.161971 -0.822893
C -10.114792 0.309443 -0.119238
C -11.031531 1.280857 -0.359606
H 5.741906 0.407187 -1.421130
H 5.290776 -1.305844 -1.412027
H 3.032500 -0.620484 -1.739897
H 3.257002 1.154172 -1.527145
H 4.378770 -1.563858 1.695756
H 3.704272 -2.236157 0.160544
H 5.067505 0.777094 1.842520
H 3.402306 1.278562 1.513925
H 1.406219 -1.711133 -0.356492
H 6.544548 -1.623502 0.776262
H 6.994370 0.094141 0.760984
H 0.107727 0.257335 1.653677
H -0.124678 -1.508671 1.718457
H 5.908357 2.291566 -0.029232
H 4.975101 3.192690 1.192514
H 4.226399 2.794385 -0.369636
H -0.901556 0.286217 -0.682142
H -1.164899 -1.470176 -0.589410
H 7.740837 -1.957515 -1.426010
H 8.192022 -0.241227 -1.440782
H -2.438647 0.635548 1.285032
H -2.648555 -1.119390 1.456997
H -3.493754 0.527726 -1.023645
H -3.703018 -1.226392 -0.840545
H -4.993955 0.925883 0.971198
H -5.177433 -0.826029 1.193773
H 9.066978 -2.295241 0.722601
H 9.515611 -0.566982 0.714239
H 10.106945 -1.649379 -0.578889
H -6.250421 -1.006702 -1.096026
H -6.073942 0.746534 -1.317717
H -7.723235 -0.600102 0.930335
H -7.565835 1.152801 0.694361
H -8.762486 -0.802076 -1.375580
H -8.664403 0.964028 -1.577665
H -10.329518 -0.445094 0.655423
H -11.976937 1.331125 0.192672
H -10.860305 2.055438 -1.118017


