%chk=000198366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198366

0 1
O -0.402163 0.169150 -1.741359
O -1.843457 2.030104 -1.262280
O 0.843248 -1.702088 1.780655
N 2.397871 2.537873 -0.611542
C 2.367096 -0.052780 -0.423225
C 1.068297 0.535139 0.194342
C 1.096494 2.073459 -0.026366
C 2.510143 0.374323 -1.899357
C 3.562561 0.527075 0.372752
C -0.240848 -0.112938 -0.335431
C 2.565780 1.917036 -1.970760
C 3.521369 2.070904 0.270832
C -1.439569 0.448169 0.436449
C -0.249514 -1.638915 -0.306197
C -2.255178 1.496686 -0.055185
C 0.305930 -2.427281 0.730164
C -1.767623 -0.070942 1.692364
C -0.852281 -2.318419 -1.371959
C -3.368615 1.971242 0.650313
C 0.285583 -3.826554 0.692348
C -2.869362 0.397087 2.419416
C -0.885539 -3.717603 -1.424832
C -3.672459 1.408167 1.892889
C -0.314008 -4.466450 -0.397397
C -2.623378 3.098144 -1.851220
C 1.472828 -2.427581 2.863320
H 2.358804 -1.160273 -0.346699
H 1.098477 0.333137 1.296700
H 0.276311 2.400361 -0.705635
H 0.935100 2.605211 0.931869
H 1.653244 -0.018875 -2.482323
H 3.414512 -0.072254 -2.341957
H 4.510377 0.135622 -0.031828
H 3.518408 0.202304 1.424773
H 3.531036 2.261120 -2.392410
H 1.774211 2.315779 -2.634926
H 3.392465 2.531413 1.270175
H 4.470609 2.466841 -0.141187
H -0.282719 1.136462 -1.922934
H -1.147716 -0.861658 2.127052
H -1.300734 -1.733330 -2.184776
H -3.994266 2.762146 0.251932
H 0.721124 -4.419727 1.488321
H -3.096841 -0.033922 3.390701
H -1.357951 -4.213367 -2.269063
H -4.537532 1.767463 2.449184
H -0.333942 -5.555098 -0.435889
H -2.617973 3.975944 -1.198740
H -3.638326 2.750909 -2.065955
H -2.072148 3.292436 -2.780348
H 1.804952 -1.610053 3.516231
H 2.325649 -3.002430 2.490977
H 0.742364 -3.063670 3.371318


%chk=000198366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198366

0 1
O -0.402914 0.137748 -1.873346
O -1.998511 2.088172 -1.370931
O 0.905944 -1.763200 1.829575
N 2.479293 2.561640 -0.562428
C 2.402182 -0.036063 -0.484028
C 1.074826 0.548819 0.093176
C 1.119158 2.104403 -0.141729
C 2.675053 0.440825 -1.938148
C 3.556262 0.486014 0.418232
C -0.250469 -0.122681 -0.429577
C 2.779291 2.008073 -1.921856
C 3.499733 2.060183 0.407754
C -1.460365 0.472350 0.372326
C -0.249545 -1.683363 -0.315851
C -2.293278 1.538315 -0.091720
C 0.311457 -2.457781 0.748095
C -1.750840 -0.028260 1.666420
C -0.871881 -2.406282 -1.363776
C -3.365113 2.041573 0.681449
C 0.258764 -3.873887 0.731994
C -2.807186 0.472156 2.457558
C -0.945465 -3.815663 -1.383261
C -3.624442 1.507335 1.960606
C -0.370263 -4.554982 -0.330800
C -2.847814 3.149528 -1.913941
C 1.576684 -2.540178 2.872905
H 2.372595 -1.138787 -0.453593
H 1.095809 0.353776 1.179265
H 0.418509 2.413855 -0.936449
H 0.840224 2.646638 0.780665
H 1.858099 0.104748 -2.595965
H 3.620714 -0.012072 -2.295685
H 4.525587 0.124165 0.022556
H 3.448255 0.091031 1.446998
H 3.792606 2.350666 -2.203954
H 2.065278 2.461439 -2.633660
H 3.234589 2.456379 1.405872
H 4.478479 2.492806 0.129087
H -0.932200 0.979479 -1.986774
H -1.123233 -0.827491 2.066535
H -1.279675 -1.817892 -2.188594
H -3.995006 2.848813 0.297677
H 0.702785 -4.451852 1.547502
H -2.990116 0.049676 3.451144
H -1.439084 -4.325197 -2.217583
H -4.454794 1.902287 2.555948
H -0.405567 -5.650282 -0.328391
H -2.814287 4.049344 -1.272135
H -3.892015 2.803082 -2.029176
H -2.420243 3.382155 -2.900427
H 1.990087 -1.789574 3.563327
H 2.396979 -3.153890 2.453691
H 0.865763 -3.192595 3.416717


