%chk=000228447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228447

0 1
O 2.572695 1.509336 -0.382222
O 0.165586 3.119872 -0.726739
C -1.410555 0.081181 -0.591301
C -0.301524 -0.390615 -1.563093
C 1.134574 -0.335402 -1.009101
C -1.967195 -1.085589 0.247400
C -0.924945 1.241705 0.307420
C 1.338311 -1.357211 0.123829
C -3.452152 -0.951276 0.653162
C 1.462130 1.082068 -0.560785
C 2.778527 -1.561231 0.651954
C 0.210323 1.978314 -0.352064
C -3.700779 0.244162 1.578789
C -4.367181 -0.887132 -0.575921
C 3.839399 -1.470258 -0.447967
C 3.109101 -0.598330 1.798575
H -2.246004 0.477933 -1.227465
H -0.349827 0.230363 -2.481528
H -0.520974 -1.420032 -1.907763
H 1.840004 -0.589944 -1.844633
H -1.854031 -2.029977 -0.322809
H -1.352843 -1.225073 1.158080
H -0.600459 0.867844 1.299596
H -1.767412 1.932854 0.518997
H 0.676169 -1.099228 0.974672
H 0.970564 -2.337043 -0.246227
H -3.712690 -1.881267 1.224537
H 2.810049 -2.602432 1.070822
H -3.534378 1.199134 1.066398
H -3.043892 0.219083 2.454114
H -4.733861 0.251958 1.944594
H -4.155534 -0.005131 -1.192666
H -5.421607 -0.832453 -0.283739
H -4.247835 -1.769584 -1.212742
H 3.938662 -0.438803 -0.819434
H 3.606135 -2.118653 -1.296745
H 4.825104 -1.762831 -0.069539
H 3.202451 0.437811 1.443707
H 4.068743 -0.854643 2.261443
H 2.350052 -0.617181 2.584595


%chk=000228447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228447

0 1
O 2.561384 1.666509 -1.004459
O 0.358385 3.184195 -0.029952
C -1.411529 0.046391 -0.546658
C -0.291996 -0.440949 -1.534417
C 1.170109 -0.361729 -1.004021
C -2.127164 -1.133368 0.184328
C -0.858962 1.115362 0.456957
C 1.431969 -1.353122 0.179069
C -3.624061 -0.936221 0.574231
C 1.474988 1.107158 -0.713097
C 2.892360 -1.484481 0.710362
C 0.304388 1.931153 -0.084961
C -3.877553 0.242165 1.545455
C -4.539338 -0.826036 -0.670185
C 3.937555 -1.611755 -0.424377
C 3.282733 -0.364105 1.707578
H -2.169555 0.557062 -1.172322
H -0.344150 0.168294 -2.459168
H -0.500323 -1.483597 -1.841634
H 1.855460 -0.656919 -1.822121
H -2.085024 -2.024046 -0.475829
H -1.554497 -1.399855 1.096794
H -0.488870 0.596742 1.366743
H -1.644356 1.813213 0.788388
H 0.768453 -1.119866 1.033761
H 1.108099 -2.345068 -0.199829
H -3.911928 -1.866635 1.109818
H 2.905509 -2.438373 1.281150
H -3.743371 1.217838 1.042842
H -3.196603 0.208896 2.416514
H -4.915217 0.211685 1.926618
H -4.331269 0.093361 -1.249662
H -5.603246 -0.790088 -0.371033
H -4.405324 -1.691115 -1.346503
H 4.045987 -0.659781 -0.974793
H 3.658338 -2.402911 -1.146859
H 4.927902 -1.872017 -0.007428
H 3.353009 0.621070 1.216031
H 4.270725 -0.577332 2.156680
H 2.549883 -0.289426 2.534191


