%chk=000245087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245087

0 1
O -0.842693 -1.007063 2.336891
N 2.866885 -0.353690 -0.697640
N -0.743409 0.043129 -2.441523
N -3.003778 1.625504 -2.055448
C 4.420394 -1.045470 1.195941
C 3.269456 -0.109314 0.721401
C 4.686812 -0.739250 2.683543
C 4.014826 -2.520153 1.043428
C 5.700423 -0.767883 0.386376
C 2.202665 0.849686 -1.292543
C 1.713289 0.523801 -2.712245
C 0.590103 -0.528798 -2.726522
C -1.258809 0.159409 -1.161036
C -2.480283 0.939965 -0.970459
C -3.087908 0.978843 0.319442
C -0.692087 -0.487342 -0.060388
C -1.326529 -0.408930 1.195476
C -2.506295 0.297728 1.409681
C -4.298376 1.744987 0.451404
C -4.809500 2.407230 -0.631442
C -4.118733 2.326631 -1.887762
C 0.369698 -1.791928 2.237897
H 2.356431 -0.303842 1.344244
H 3.557578 0.945684 0.914774
H 5.008812 0.295830 2.835340
H 3.796478 -0.901737 3.298923
H 5.476431 -1.384693 3.083540
H 4.829620 -3.192180 1.330028
H 3.149268 -2.767183 1.665446
H 3.739095 -2.756458 0.008726
H 6.542360 -1.359004 0.763411
H 5.993414 0.285124 0.441165
H 5.577566 -1.026620 -0.670371
H 3.694498 -0.594155 -1.256683
H 2.865732 1.741389 -1.324029
H 1.334048 1.124923 -0.649756
H 2.555410 0.156303 -3.330936
H 1.371022 1.458573 -3.198685
H 0.536383 -1.013361 -3.727807
H 0.824298 -1.338704 -1.991208
H -1.142728 0.634896 -3.173719
H 0.235520 -1.045862 -0.181253
H -2.961087 0.322983 2.392901
H -4.786230 1.779909 1.424560
H -5.722832 2.993517 -0.566808
H -4.511703 2.859416 -2.759455
H 1.206350 -1.162895 1.884306
H 0.520361 -2.108857 3.276251
H 0.211152 -2.650488 1.579122


%chk=000245087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245087

0 1
O -1.151105 -1.196711 2.414459
N 3.068028 -0.108581 -0.639581
N -0.605391 0.458548 -2.234087
N -3.039728 1.572257 -2.087405
C 4.573180 -1.115594 1.149169
C 3.700660 0.090053 0.685579
C 5.196660 -0.745840 2.521021
C 3.711213 -2.396546 1.295577
C 5.719387 -1.377220 0.132185
C 2.401010 1.103802 -1.178160
C 1.863127 0.840154 -2.598821
C 0.664525 -0.143929 -2.641433
C -1.272392 0.297110 -1.036064
C -2.597915 0.898632 -0.965362
C -3.382464 0.768257 0.241560
C -0.773203 -0.395305 0.089717
C -1.580608 -0.513055 1.262895
C -2.863166 0.051134 1.354869
C -4.677839 1.390804 0.229605
C -5.115531 2.072714 -0.908417
C -4.261829 2.140643 -2.054809
C 0.185993 -1.787990 2.405609
H 2.894593 0.260903 1.428834
H 4.346730 1.006456 0.703478
H 5.875215 0.124032 2.432534
H 4.412871 -0.492286 3.260190
H 5.781332 -1.593390 2.924822
H 4.349920 -3.275658 1.502973
H 2.995693 -2.296927 2.133180
H 3.135201 -2.586555 0.372493
H 6.430101 -2.120235 0.539441
H 6.285424 -0.449925 -0.080442
H 5.341801 -1.784820 -0.825070
H 3.764167 -0.448213 -1.320768
H 3.093596 1.982576 -1.205227
H 1.565111 1.379450 -0.506474
H 2.685111 0.432210 -3.226239
H 1.557596 1.798835 -3.060162
H 0.549921 -0.525441 -3.675659
H 0.892218 -1.012433 -1.998293
H -1.150209 1.003046 -2.915549
H 0.232100 -0.824847 0.057985
H -3.438313 -0.064792 2.277743
H -5.311444 1.321606 1.121492
H -6.098615 2.553651 -0.937828
H -4.583621 2.667878 -2.960244
H 0.966821 -1.016120 2.264075
H 0.299154 -2.255579 3.395356
H 0.288311 -2.557155 1.615753


