%chk=000208465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208465

1 1
O 0.731098 -0.473204 1.313562
O -1.828669 -2.262881 1.997578
N -3.370057 0.602778 -0.240623
N -0.968750 -2.605753 -0.086411
C -3.067875 -0.625674 -1.115758
C -2.424628 0.623621 0.970643
C -3.215588 1.868505 -1.105792
C -4.808890 0.543954 0.233183
C -3.372136 -1.964703 -0.442087
C -2.585258 1.848245 1.848287
C -1.818176 2.059413 -1.660032
C -2.268317 -3.014635 -0.671770
C -0.855755 -2.268944 1.257574
C 0.532406 -1.835174 1.736587
C 1.491874 2.148314 1.139594
C 1.822681 1.155072 0.044377
C 1.491528 -0.211194 0.176445
C 2.774103 2.560174 1.871804
C 0.759261 3.375437 0.582571
C 2.532455 1.526259 -1.103046
C 1.860229 -1.174943 -0.763477
C 2.580480 -0.769746 -1.901753
C 2.895467 0.586423 -2.071332
C 3.020176 -1.772872 -2.912597
H -1.990393 -0.572933 -1.411472
H -3.650542 -0.537784 -2.061809
H -1.367180 0.542279 0.608613
H -2.607227 -0.307012 1.578048
H -3.956051 1.816410 -1.939347
H -3.502069 2.754147 -0.487669
H -5.512734 0.411697 -0.607088
H -5.096653 1.464938 0.773987
H -4.971792 -0.296805 0.935900
H -3.511791 -1.859659 0.663578
H -4.334312 -2.375410 -0.813823
H -2.343467 2.791056 1.340907
H -3.583198 1.942489 2.295405
H -1.883426 1.781079 2.702435
H -1.061938 2.283719 -0.876693
H -1.797086 2.923487 -2.347790
H -1.442963 1.206237 -2.239394
H -2.125857 -3.216434 -1.756123
H -2.595731 -3.977324 -0.201461
H -0.161960 -2.579970 -0.712596
H 0.815873 1.648960 1.884960
H 1.352451 -2.507321 1.434006
H 0.534269 -1.741622 2.848282
H 3.481394 3.075224 1.211663
H 3.296000 1.686924 2.282721
H 2.559417 3.235863 2.707618
H 1.406764 3.976496 -0.068063
H 0.432405 4.037826 1.392863
H -0.124161 3.086744 -0.003673
H 2.820650 2.571844 -1.237507
H 1.651787 -2.228798 -0.609853
H 3.453057 0.908506 -2.950351
H 4.101779 -1.973372 -2.813448
H 2.514039 -2.741421 -2.821165
H 2.866086 -1.421529 -3.943787


%chk=000208465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208465

1 1
O 1.058061 -0.270155 1.075331
O -1.686893 -2.472489 1.637404
N -3.900014 0.678574 0.090285
N -0.725966 -1.975990 -0.425783
C -3.034729 -0.133876 -0.911485
C -3.334463 0.473253 1.524832
C -3.870814 2.178396 -0.317747
C -5.350370 0.214018 0.009548
C -3.201800 -1.663309 -0.824459
C -4.083978 1.221885 2.630871
C -2.491814 2.845405 -0.289986
C -1.893437 -2.407705 -1.218355
C -0.700979 -2.047336 0.953008
C 0.574417 -1.531553 1.647044
C 1.735447 2.270938 0.131910
C 2.285834 1.009557 -0.540050
C 1.954731 -0.280744 -0.031360
C 2.537442 2.577381 1.430496
C 1.711572 3.509287 -0.793263
C 3.172124 1.045123 -1.640974
C 2.485231 -1.465940 -0.594622
C 3.388667 -1.402430 -1.689736
C 3.714543 -0.129189 -2.211157
C 4.006973 -2.668910 -2.253764
H -1.988827 0.140285 -0.694635
H -3.298126 0.243637 -1.915502
H -2.279394 0.789969 1.478000
H -3.337122 -0.612764 1.712138
H -4.305803 2.215875 -1.332286
H -4.565464 2.694376 0.365408
H -5.675733 0.247944 -1.041980
H -5.982060 0.883073 0.611188
H -5.432631 -0.812930 0.391273
H -3.437980 -1.991657 0.201209
H -4.011076 -2.013937 -1.489120
H -4.055778 2.318614 2.514025
H -5.132168 0.897405 2.740889
H -3.580122 0.988204 3.585290
H -2.053240 2.881568 0.720980
H -2.621362 3.890765 -0.622060
H -1.767247 2.378018 -0.976638
H -1.649706 -2.246614 -2.283123
H -2.071159 -3.489272 -1.072434
H 0.125902 -1.680311 -0.917365
H 0.693581 2.048711 0.443768
H 1.361868 -2.309067 1.664048
H 0.302212 -1.298058 2.687526
H 3.594067 2.794496 1.189844
H 2.509884 1.721564 2.126191
H 2.116655 3.459825 1.947401
H 2.732808 3.856425 -1.034757
H 1.201163 4.348810 -0.286377
H 1.187542 3.307676 -1.746509
H 3.449330 2.014527 -2.067028
H 2.252524 -2.451059 -0.173045
H 4.401196 -0.052796 -3.061405
H 4.958648 -2.904116 -1.739700
H 3.344805 -3.544007 -2.129847
H 4.236125 -2.562370 -3.327954


