%chk=000275171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275171

0 1
O -1.507334 -0.281696 1.590179
O -0.990511 0.579529 -1.787826
N 0.363411 0.943103 0.920384
N 3.898489 1.155881 -0.343337
C 0.020326 -1.423318 0.057208
C -0.634712 -0.071763 0.472841
C 0.935482 -1.974552 1.165311
C -1.082208 -2.444864 -0.287250
C 1.538990 -3.326499 0.765121
C -0.478724 -3.798260 -0.683528
C 0.445241 -4.343921 0.413284
C -1.518251 0.475309 -0.699100
C 1.454201 1.235165 -0.063306
C -0.284056 2.193437 1.414760
C 2.796757 0.951860 0.647751
C -2.919301 0.919766 -0.469263
C 4.104399 -0.062301 -1.194174
C 5.154608 1.634308 0.302457
C -3.794420 0.235782 0.383815
C -3.370565 2.050420 -1.173764
C -5.108866 0.687377 0.542296
C -4.679771 2.502763 -1.005742
C 4.858996 0.309477 -2.471541
C 5.789527 0.695248 1.332895
C -5.549884 1.820479 -0.146698
H 0.633890 -1.235341 -0.861556
H 0.365124 -2.079848 2.107326
H 1.752618 -1.245979 1.378282
H -1.711840 -2.066717 -1.115373
H -1.756204 -2.568114 0.583583
H 2.217535 -3.193425 -0.099510
H 2.165520 -3.715400 1.589280
H -1.289543 -4.521975 -0.889430
H 0.084728 -3.693602 -1.631132
H -0.147276 -4.584809 1.316551
H 0.903579 -5.294557 0.083875
H 1.434332 2.286453 -0.422596
H 1.356549 0.616907 -0.985387
H -0.974948 -0.523131 2.386857
H -1.148674 1.943382 2.055216
H -0.636956 2.867353 0.619372
H 0.448045 2.736834 2.033598
H 2.776630 -0.073906 1.093677
H 2.915588 1.654076 1.499543
H 3.103535 -0.466963 -1.468810
H 4.639505 -0.875365 -0.657433
H 4.927810 2.616165 0.775455
H 5.884852 1.846935 -0.510827
H -3.449807 -0.648101 0.930464
H -2.691290 2.564016 -1.857401
H 4.844954 -0.516241 -3.189900
H 5.905206 0.564010 -2.271274
H 4.400856 1.183156 -2.955641
H 5.123666 0.509090 2.181798
H 6.040530 -0.276571 0.893200
H 6.716170 1.121477 1.731964
H -5.787081 0.154237 1.206080
H -5.025926 3.381332 -1.547009
H -6.572704 2.172693 -0.018115


%chk=000275171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275171

0 1
O -1.476133 -0.730834 1.725703
O -1.159469 0.370278 -1.721527
N 0.381551 0.484372 0.878561
N 3.905296 1.177605 -0.364697
C -0.208671 -1.790106 -0.116254
C -0.730239 -0.448674 0.491833
C 0.808789 -2.503743 0.809954
C -1.391422 -2.742618 -0.437324
C 1.325055 -3.812749 0.164418
C -0.887609 -4.058091 -1.078088
C 0.157483 -4.765660 -0.183657
C -1.637643 0.294809 -0.543301
C 1.464340 0.717835 -0.111419
C -0.070523 1.750095 1.520166
C 2.751884 1.259398 0.562899
C -2.902950 1.036340 -0.215443
C 4.548883 -0.159303 -0.369806
C 4.836218 2.330104 -0.289435
C -3.733774 0.762344 0.907355
C -3.307093 2.043849 -1.140481
C -4.934607 1.482597 1.093041
C -4.498446 2.766819 -0.944256
C 5.461759 -0.396569 -1.587083
C 5.671429 2.460308 1.015506
C -5.319237 2.487263 0.176166
H 0.276924 -1.553540 -1.082125
H 0.312658 -2.763021 1.770912
H 1.652902 -1.833912 1.058578
H -2.100932 -2.246514 -1.126511
H -1.944613 -2.963975 0.496656
H 1.884141 -3.566160 -0.762491
H 2.039852 -4.313119 0.846622
H -1.744031 -4.732565 -1.272276
H -0.429314 -3.830940 -2.063030
H -0.331469 -5.098100 0.755842
H 0.541158 -5.675002 -0.685925
H 1.145551 1.423770 -0.910890
H 1.709165 -0.230167 -0.612001
H -0.791598 -1.003383 2.392431
H -0.982240 1.559368 2.106653
H -0.284747 2.553806 0.779851
H 0.713293 2.114163 2.207245
H 2.919908 0.692608 1.511650
H 2.609380 2.319305 0.843548
H 3.739520 -0.914073 -0.390356
H 5.123757 -0.351101 0.572076
H 4.234245 3.248503 -0.428410
H 5.521621 2.279609 -1.155675
H -3.434225 -0.013984 1.613046
H -2.668374 2.229686 -2.010328
H 5.813726 -1.444661 -1.599746
H 6.356290 0.252086 -1.572756
H 4.907540 -0.199511 -2.521689
H 5.018446 2.538386 1.904435
H 6.342237 1.593714 1.159823
H 6.300760 3.369154 0.976373
H -5.572496 1.257092 1.955072
H -4.792624 3.542424 -1.660157
H -6.250488 3.045186 0.328220


