%chk=000224686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224686

0 1
O -0.568719 -0.825404 -2.742869
O 0.130652 -2.708002 1.601411
O 1.741694 1.103412 2.502692
O 2.972778 -2.112296 -0.751339
O -3.709347 -3.483081 -0.747614
O 5.101637 1.919603 -0.476379
N -2.116437 -2.157982 -1.761578
N -1.757197 -3.107263 0.421495
N 3.327883 1.560899 0.959573
N 4.037356 -0.122478 -0.599046
N -2.509527 1.932917 1.938650
C 0.600831 -0.312219 -0.129120
C 0.055157 -1.698068 -0.587867
C 1.911903 -0.494406 0.690898
C -0.476410 0.470891 0.596535
C -0.864751 -1.494123 -1.778479
C -0.480615 -2.512274 0.572136
C 2.271210 0.754815 1.476873
C 2.990618 -1.007110 -0.251221
C -1.176378 1.519593 -0.097190
C -0.810026 0.198995 1.902737
C -2.186403 2.228652 0.617590
C -0.920415 1.898769 -1.451850
C -2.622875 -2.957882 -0.699562
C 4.224540 1.192362 -0.075494
C -1.841411 0.960482 2.545257
C -2.910930 3.290083 -0.019980
C -1.623773 2.917169 -2.043132
C -2.630439 3.622922 -1.319277
H 0.877733 0.253046 -1.072041
H 0.940976 -2.308241 -0.992857
H 1.727402 -1.315342 1.467272
H -0.289513 -0.562621 2.489083
H -2.739212 -2.028887 -2.578781
H -2.113231 -3.685379 1.203420
H 3.503920 2.470322 1.422104
H 4.738765 -0.450342 -1.286154
H -0.159216 1.352787 -2.019632
H -2.100591 0.745655 3.591339
H -3.676223 3.810396 0.560422
H -1.426677 3.201725 -3.077192
H -3.169538 4.427706 -1.819730


%chk=000224686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224686

0 1
O -0.271937 -0.970023 -2.797088
O -0.006936 -2.808568 1.703061
O 1.925173 1.111998 2.640494
O 3.077919 -2.266639 -0.514233
O -3.726113 -3.507501 -0.992766
O 4.837176 2.025464 -0.858294
N -1.967698 -2.237764 -1.864420
N -1.839812 -3.115830 0.331767
N 3.227867 1.609345 0.791493
N 3.895854 -0.109364 -0.688026
N -2.532117 1.999914 1.996397
C 0.608459 -0.352124 -0.041897
C 0.087390 -1.771002 -0.514991
C 1.949867 -0.529709 0.810572
C -0.480311 0.475027 0.651655
C -0.714727 -1.613168 -1.809661
C -0.569945 -2.584323 0.598429
C 2.350175 0.768961 1.511920
C 3.019258 -1.060949 -0.146532
C -1.164350 1.543957 -0.051386
C -0.845968 0.225420 1.981332
C -2.185071 2.281942 0.680055
C -0.906698 1.928889 -1.411729
C -2.594736 -2.988952 -0.850824
C 4.033912 1.242119 -0.300071
C -1.871044 0.999348 2.604631
C -2.881225 3.358782 0.043698
C -1.600723 2.986635 -2.004275
C -2.594556 3.711439 -1.275216
H 0.901582 0.158057 -0.976354
H 0.995946 -2.352214 -0.794660
H 1.760035 -1.294042 1.583233
H -0.339849 -0.538582 2.574553
H -2.500627 -2.138681 -2.735237
H -2.275469 -3.671653 1.075914
H 3.404798 2.541538 1.180865
H 4.541452 -0.427837 -1.418617
H -0.175014 1.384737 -2.016813
H -2.147961 0.795321 3.645143
H -3.636418 3.882335 0.637535
H -1.383632 3.259621 -3.042590
H -3.128726 4.537874 -1.755966


