%chk=000230846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230846

0 1
O -1.388738 2.185427 -0.816957
N 0.242937 0.657465 -0.389565
N -4.475181 -0.630340 0.008450
C 1.348151 1.623000 -0.624188
C 2.134517 1.256816 -1.897454
C 2.290134 1.647873 0.596207
C 2.844338 -0.095470 -1.782920
C 3.222401 0.472194 0.672906
C 3.503619 -0.327527 -0.450522
C 3.847799 0.188345 1.898466
C -1.095666 1.038182 -0.513784
C 4.406549 -1.396817 -0.327627
C -2.099111 -0.062490 -0.251207
C -3.533614 0.498574 -0.274317
C 4.742672 -0.876302 2.010028
C 5.023644 -1.670688 0.893430
C -4.888093 -1.319821 -1.260136
C -5.666938 -0.178937 0.800595
C -5.401374 -2.726233 -0.946499
C -5.257610 0.110695 2.245496
H 0.887919 2.643958 -0.757501
H 1.454244 1.252425 -2.771169
H 2.877527 2.055024 -2.094428
H 2.897008 2.578945 0.559139
H 1.688937 1.728324 1.526330
H 2.118242 -0.916167 -1.968127
H 3.596422 -0.179485 -2.595566
H 0.515782 -0.286651 -0.139300
H 3.634341 0.804830 2.770094
H 4.629534 -2.018261 -1.193227
H -1.993465 -0.872585 -1.001044
H -1.918512 -0.551636 0.729762
H -3.624838 1.288245 0.505296
H -3.724605 1.011403 -1.242018
H 5.221657 -1.087394 2.963939
H 5.722554 -2.500386 0.976528
H -3.997679 -1.398068 -1.922981
H -5.654681 -0.750430 -1.829211
H -6.417329 -1.001875 0.793554
H -6.165986 0.709937 0.357567
H -4.686485 -3.271165 -0.315010
H -6.351729 -2.703616 -0.401040
H -5.552880 -3.303852 -1.863510
H -4.708535 -0.738736 2.673546
H -4.600146 0.984962 2.318693
H -6.134934 0.296908 2.872684


%chk=000230846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230846

0 1
O -1.235570 1.658245 -1.956738
N 0.223895 0.751137 -0.393449
N -4.426862 -0.621205 -0.005176
C 1.325849 1.688045 -0.707701
C 2.139248 1.225335 -1.944319
C 2.265868 1.823381 0.506881
C 2.771502 -0.163101 -1.710139
C 3.146257 0.592584 0.726268
C 3.415562 -0.321425 -0.333121
C 3.733585 0.372170 1.998692
C -0.990788 0.792500 -1.056036
C 4.276820 -1.421644 -0.086245
C -2.021291 -0.253863 -0.626083
C -3.379753 0.400297 -0.267066
C 4.587775 -0.725303 2.232837
C 4.863712 -1.628802 1.179288
C -5.061753 -1.112514 -1.259249
C -5.417507 -0.191488 1.018065
C -5.641560 -2.533680 -1.124938
C -4.862248 -0.263795 2.453670
H 0.854916 2.660809 -0.937739
H 1.479895 1.205637 -2.829634
H 2.928702 1.979217 -2.132809
H 2.914499 2.705525 0.333772
H 1.680850 2.043688 1.420608
H 1.985666 -0.938107 -1.824458
H 3.519838 -0.374734 -2.497574
H 0.390207 0.023984 0.305781
H 3.518341 1.076162 2.813001
H 4.487690 -2.123903 -0.903188
H -2.172950 -0.946033 -1.476809
H -1.672067 -0.860989 0.229254
H -3.247476 1.013669 0.642547
H -3.663091 1.099035 -1.087399
H 5.032861 -0.876283 3.222599
H 5.527876 -2.484534 1.344572
H -4.287216 -1.121732 -2.048909
H -5.857099 -0.409121 -1.614729
H -6.289448 -0.866968 0.947165
H -5.800630 0.840119 0.810523
H -4.846151 -3.242519 -0.835733
H -6.435612 -2.584681 -0.358126
H -6.081843 -2.864088 -2.084490
H -4.539997 -1.294686 2.682065
H -3.992211 0.403656 2.592902
H -5.635494 0.038599 3.184766


