%chk=000294276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294276

0 1
O -4.653298 0.857484 0.497079
O 2.726296 3.050454 -1.011719
O -0.610338 0.695767 -1.761956
O 1.484554 3.435556 0.802058
N -2.005844 1.618364 -0.224119
C 2.816376 0.332301 0.612051
C 1.660508 1.134086 -0.093348
C 0.266477 0.831925 0.472196
C 2.434923 -1.125607 0.752246
C 4.095601 0.458914 -0.234402
C 3.076113 0.925031 2.011141
C 2.072213 -1.982893 -0.217120
C 0.169081 -3.654133 -0.076890
C 1.679254 -3.395776 0.146393
C -0.797874 1.014721 -0.592087
C 1.900968 2.624474 0.006428
C -0.685698 -2.710415 0.793904
C -2.481300 1.726665 1.176543
C -3.107611 1.719998 -1.219656
C 1.987876 -1.639214 -1.667173
C -0.155509 -5.123512 0.216759
C -2.146317 -2.594674 0.338435
C -3.571133 0.670790 1.429444
C -4.245359 0.743652 -0.882881
C -2.300748 -2.180262 -1.122329
H 1.671360 0.851906 -1.188057
H 0.209960 -0.240824 0.810041
H 0.079160 1.445428 1.380578
H 2.479573 -1.483962 1.782748
H 4.359068 1.505584 -0.430080
H 4.946446 -0.013191 0.267378
H 3.981798 -0.033895 -1.211496
H 3.438923 1.958067 1.962390
H 2.170818 0.930366 2.626397
H 3.838366 0.350520 2.549437
H -0.056951 -3.452355 -1.153840
H 2.268927 -4.111273 -0.461583
H 1.944185 -3.626239 1.196803
H -0.653477 -3.044795 1.847806
H -0.228139 -1.692465 0.790281
H -1.640332 1.628811 1.896336
H -2.904603 2.750106 1.319176
H -3.478408 2.769859 -1.210307
H -2.706653 1.518226 -2.242359
H 0.068856 -5.394127 1.253706
H -1.218752 -5.330484 0.048530
H 0.414240 -5.798489 -0.430351
H 1.926194 -2.519451 -2.316825
H 1.089592 -1.024220 -1.875616
H 2.861661 -1.050605 -1.995711
H -2.671721 -3.554070 0.510979
H -2.662554 -1.845525 0.986484
H -3.182131 -0.368350 1.335251
H -4.072174 0.804854 2.404007
H -3.960140 -0.312749 -1.083047
H -5.178636 0.990763 -1.419797
H -1.546649 -1.437962 -1.426458
H -2.197834 -3.033891 -1.800784
H -3.288205 -1.727328 -1.306644
H 2.885624 4.031165 -0.990668


%chk=000294276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294276

0 1
O -4.767669 1.176608 0.922893
O 2.852123 2.792265 -1.640765
O -0.635326 0.938496 -1.702799
O 1.931269 3.673519 0.289537
N -2.073927 1.607283 -0.010161
C 2.821639 0.442200 0.679447
C 1.724946 1.235782 -0.162231
C 0.343442 1.238154 0.534132
C 2.381606 -1.028466 0.819392
C 4.221511 0.537545 0.001836
C 2.945577 1.047749 2.106999
C 2.068806 -1.954446 -0.136638
C 0.220283 -3.781518 -0.194581
C 1.647768 -3.361442 0.282370
C -0.812693 1.257630 -0.480282
C 2.149904 2.671622 -0.434316
C -0.868845 -2.886010 0.453920
C -2.436781 1.918060 1.388738
C -3.216276 1.684619 -0.951413
C 2.078719 -1.716955 -1.640644
C -0.012848 -5.280540 0.106928
C -2.297034 -3.038324 -0.129317
C -3.621366 1.028230 1.829801
C -4.375827 0.805097 -0.451321
C -2.410552 -2.616065 -1.612634
H 1.620867 0.747397 -1.143453
H 0.245831 0.315216 1.138721
H 0.285004 2.100958 1.220660
H 2.321434 -1.373080 1.864624
H 4.619840 1.567372 0.055514
H 4.928810 -0.131275 0.523891
H 4.196066 0.249723 -1.061903
H 3.202583 2.120932 2.069916
H 2.006411 0.943187 2.680211
H 3.739518 0.521446 2.668677
H 0.178598 -3.642852 -1.293951
H 2.370472 -4.093354 -0.139100
H 1.696651 -3.460259 1.385892
H -0.892276 -3.103166 1.543827
H -0.562615 -1.825507 0.350618
H -1.581284 1.751414 2.060838
H -2.735974 2.983354 1.462124
H -3.554303 2.738085 -1.018986
H -2.858379 1.357156 -1.941605
H 0.032539 -5.471757 1.197013
H -0.999469 -5.623464 -0.253857
H 0.757726 -5.909289 -0.377862
H 2.340544 -2.649914 -2.174037
H 1.080681 -1.401349 -2.004405
H 2.795146 -0.941173 -1.950781
H -2.649598 -4.082085 -0.009718
H -2.987649 -2.414692 0.476368
H -3.298119 -0.036274 1.859824
H -3.989445 1.330916 2.824034
H -4.081000 -0.265437 -0.478520
H -5.279684 0.955656 -1.063456
H -2.016886 -1.592683 -1.765816
H -1.839556 -3.293056 -2.274157
H -3.463049 -2.636451 -1.952754
H 3.108717 3.746312 -1.771583


