%chk=000229791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229791

0 1
O -2.041484 1.379911 -0.118584
O -1.347506 -0.080791 1.462111
C 1.453170 1.349894 1.004131
C 1.419561 0.105722 0.115096
C 0.256709 1.105428 0.052411
C 1.256812 1.169599 2.489019
C 2.367891 2.499516 0.655454
C 2.306879 -0.049682 -1.057733
C -1.064031 0.699165 0.578634
C 3.574865 -0.486033 -0.979982
C 4.420039 -0.652738 -2.205232
C 4.234995 -0.850303 0.312781
C -3.436378 1.114661 0.220946
C -3.884342 -0.167652 -0.473806
C -5.400219 -0.362114 -0.353933
C -5.854833 -1.648878 -1.038352
H 1.209235 -0.856814 0.614144
H 0.176204 1.757908 -0.831381
H 0.514494 0.387453 2.723370
H 2.193597 0.883372 2.980790
H 0.900020 2.092821 2.962166
H 3.331932 2.407136 1.171257
H 2.586094 2.547747 -0.419736
H 1.924388 3.460110 0.945827
H 1.849679 0.196850 -2.015348
H 5.260353 0.055213 -2.203135
H 4.845495 -1.664354 -2.259491
H 3.860978 -0.488342 -3.135223
H 3.988878 -1.884755 0.593541
H 5.327754 -0.776367 0.264483
H 3.900546 -0.205697 1.138432
H -3.928629 2.021178 -0.173353
H -3.535024 1.060397 1.319059
H -3.348442 -1.033794 -0.031737
H -3.578807 -0.142356 -1.538393
H -5.930043 0.503634 -0.798010
H -5.693179 -0.385763 0.714855
H -5.611744 -1.646498 -2.107129
H -5.375900 -2.531019 -0.596772
H -6.938407 -1.784466 -0.947678


%chk=000229791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229791

0 1
O -1.945805 1.502925 -0.171444
O -1.111895 0.217613 1.596927
C 1.520826 1.986312 1.140429
C 1.674652 0.639282 0.414017
C 0.397890 1.517007 0.161883
C 1.272883 1.956784 2.647163
C 2.335123 3.194695 0.677842
C 2.641245 0.394198 -0.686474
C -0.908723 1.000818 0.631464
C 3.248142 -0.791728 -0.994159
C 4.225909 -0.882871 -2.154549
C 3.028373 -2.096883 -0.249853
C -3.322538 1.019767 0.148891
C -3.619786 -0.305225 -0.565928
C -5.072018 -0.778105 -0.317721
C -5.387525 -2.105500 -1.040428
H 1.450168 -0.220524 1.055974
H 0.345613 2.055250 -0.788626
H 0.644224 1.100643 2.942027
H 2.238707 1.887513 3.182647
H 0.767007 2.883530 2.979372
H 3.352034 3.162304 1.112857
H 2.438885 3.246482 -0.419748
H 1.850736 4.130829 1.012545
H 2.887280 1.263642 -1.314117
H 5.223090 -1.223233 -1.809731
H 3.882766 -1.623119 -2.905088
H 4.353551 0.087815 -2.664643
H 2.664079 -2.880727 -0.943427
H 3.982799 -2.469791 0.172671
H 2.302709 -2.015132 0.574729
H -3.976912 1.832519 -0.209022
H -3.415328 0.907439 1.244528
H -2.911779 -1.075752 -0.206755
H -3.448739 -0.178943 -1.652807
H -5.780391 0.005375 -0.656865
H -5.237852 -0.902305 0.771575
H -5.255056 -2.002534 -2.133855
H -4.714758 -2.912548 -0.695073
H -6.427990 -2.428522 -0.853731


