%chk=000257411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257411

0 1
O 5.167310 -1.572467 0.111124
O -5.374855 0.671011 0.156136
N -2.366064 -1.492193 0.858864
C -1.303284 0.232370 -0.600040
C 0.108934 -0.176961 -0.070531
C 1.055044 1.061842 -0.006794
C 2.406231 0.574210 0.531624
C -1.870002 1.346473 0.333314
C 3.044762 -0.456107 -0.448300
C -2.291195 -0.991521 -0.548367
C 0.731936 -1.327053 -0.894865
C 0.456790 2.155649 0.893585
C -0.935534 2.566834 0.404957
C 2.158092 -1.705452 -0.455209
C 3.537109 1.584553 0.808021
C -1.205456 0.707576 -2.060794
C -3.282578 1.789644 -0.082001
C -3.708344 -0.582038 -0.991659
C 4.454838 -0.603721 0.161228
C 4.810310 0.713684 0.845576
C 3.272018 0.067425 -1.873905
C -3.149823 -2.737481 1.123454
C -1.640659 -2.754037 1.204301
C -4.231881 0.625368 -0.239723
H -0.021088 -0.544665 0.979408
H 1.183989 1.478810 -1.033659
H 2.203981 0.046381 1.501957
H -1.945052 0.905385 1.364471
H -1.921300 -1.773842 -1.260809
H 0.747916 -1.051660 -1.968156
H 0.088194 -2.224939 -0.821334
H 1.124272 3.037264 0.909653
H 0.398786 1.801323 1.941065
H -1.361804 3.325415 1.089012
H -0.863798 3.059302 -0.582752
H 2.143985 -2.172763 0.547380
H 2.575965 -2.473974 -1.133142
H 3.382820 2.122675 1.756164
H 3.598506 2.351688 0.018488
H -0.905265 -0.102261 -2.733676
H -2.153253 1.111479 -2.429103
H -0.457848 1.505109 -2.161263
H -3.255063 2.360110 -1.032116
H -3.691977 2.495450 0.671492
H -4.418404 -1.425611 -0.861756
H -3.717651 -0.359067 -2.077438
H 5.150454 0.524321 1.879452
H 5.663672 1.194473 0.337640
H 3.812827 -0.670746 -2.479275
H 2.319519 0.269384 -2.379111
H 3.848355 0.998720 -1.886514
H -3.663878 -3.270138 0.323122
H -3.755389 -2.711245 2.035503
H -1.138991 -2.746363 2.176580
H -1.053379 -3.294225 0.459725


%chk=000257411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257411

0 1
O 5.143780 -1.705069 0.239557
O -5.460485 0.609798 0.391764
N -2.371062 -1.455054 0.911418
C -1.354790 0.241223 -0.660793
C 0.105576 -0.147675 -0.202439
C 1.061472 1.093469 -0.077206
C 2.409389 0.587763 0.474828
C -1.885807 1.367233 0.298229
C 3.086721 -0.466630 -0.451334
C -2.333875 -0.987794 -0.510867
C 0.761318 -1.257818 -1.079515
C 0.452690 2.199566 0.814552
C -0.958046 2.599642 0.339670
C 2.164568 -1.696695 -0.578358
C 3.555340 1.576028 0.823286
C -1.346456 0.689995 -2.149480
C -3.350881 1.779841 -0.002930
C -3.784921 -0.604331 -0.901240
C 4.432382 -0.672442 0.270065
C 4.767250 0.624056 1.046300
C 3.472016 0.088038 -1.861249
C -3.072547 -2.759392 1.185650
C -1.561661 -2.665444 1.304204
C -4.304976 0.595660 -0.110302
H 0.007002 -0.550297 0.828991
H 1.229703 1.528402 -1.085533
H 2.171164 0.050823 1.424194
H -1.887169 0.911540 1.309501
H -2.003812 -1.803363 -1.201302
H 0.843834 -0.903054 -2.124972
H 0.108362 -2.149787 -1.116466
H 1.120329 3.083282 0.822220
H 0.394368 1.832716 1.861588
H -1.387636 3.357871 1.024490
H -0.902131 3.076513 -0.661057
H 2.070639 -2.185414 0.412683
H 2.600931 -2.446684 -1.264708
H 3.334293 2.182405 1.718040
H 3.748185 2.276929 -0.010679
H -1.223146 -0.177065 -2.824902
H -2.279498 1.201765 -2.442528
H -0.518239 1.389698 -2.355953
H -3.394382 2.337717 -0.963544
H -3.730554 2.463775 0.777542
H -4.475406 -1.451657 -0.747842
H -3.811635 -0.347680 -1.978221
H 4.885806 0.357431 2.114588
H 5.740290 1.030321 0.715913
H 4.014219 -0.693165 -2.423848
H 2.579255 0.372851 -2.442764
H 4.126625 0.975705 -1.799601
H -3.465714 -3.331180 0.332862
H -3.703810 -2.773499 2.079240
H -1.084896 -2.612253 2.288548
H -0.971172 -3.175217 0.530715


