%chk=000205775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205775

0 1
O -0.697664 0.156401 0.100669
N -3.598804 0.820037 1.053703
N -6.646205 -0.678264 0.634207
C 0.523878 -0.439367 0.611849
C 1.044839 -1.483746 -0.354787
C 1.495709 0.716123 0.748808
C -1.862704 -0.708158 0.192976
C -3.032269 0.206468 -0.192323
C 1.723508 -2.633214 0.094024
C 0.849864 -1.282891 -1.728676
C 2.634522 0.558748 1.552715
C 1.271216 1.929514 0.086065
C 2.181186 -3.569590 -0.848036
C 1.970500 -2.877064 1.548774
C 1.308124 -2.218241 -2.657485
C 1.974071 -3.364927 -2.213370
C -4.988874 1.337827 0.824987
C -2.723356 1.917286 1.559254
C 3.539303 1.612898 1.694490
C 2.178387 2.982828 0.233354
C 3.311822 2.827080 1.037090
C -5.909655 0.207416 0.718499
H 0.290433 -0.878894 1.610783
H -1.735360 -1.538591 -0.522897
H -1.953911 -1.103082 1.220809
H -2.680183 0.958037 -0.934712
H -3.816376 -0.404308 -0.691901
H 0.329374 -0.381396 -2.060011
H 2.819208 -0.394166 2.056377
H 0.383953 2.042971 -0.539559
H 2.704021 -4.462832 -0.511692
H 2.596005 -3.761812 1.727644
H 2.490256 -2.021061 2.016075
H 1.030403 -3.037973 2.095052
H 1.151173 -2.053900 -3.721017
H 2.334150 -4.098659 -2.932831
H -5.090200 1.992105 -0.075374
H -5.285721 1.961726 1.708092
H -1.669364 1.567951 1.560713
H -2.997498 2.136900 2.602874
H -2.755419 2.847445 0.975038
H 4.424006 1.488940 2.316370
H 2.002112 3.925261 -0.281974
H 4.017640 3.647375 1.149559


%chk=000205775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205775

0 1
O -0.602617 0.294024 0.271730
N -3.619774 0.787540 1.054431
N -6.508928 -1.220571 0.860647
C 0.710924 -0.262106 0.668897
C 1.158036 -1.371852 -0.292572
C 1.701829 0.903956 0.726276
C -1.694013 -0.692367 0.352923
C -3.014336 -0.021502 -0.035749
C 1.358125 -2.717166 0.136418
C 1.352455 -1.031237 -1.655029
C 3.037022 0.652824 1.132856
C 1.320290 2.225917 0.396721
C 1.755995 -3.680666 -0.828191
C 1.161153 -3.153381 1.582592
C 1.741062 -1.999982 -2.601662
C 1.946408 -3.335275 -2.183596
C -5.067416 1.028932 0.849252
C -2.915300 2.063619 1.325371
C 3.973494 1.705147 1.215450
C 2.260599 3.280093 0.473425
C 3.587918 3.026302 0.885430
C -5.859350 -0.220243 0.858682
H 0.605973 -0.684415 1.691161
H -1.484273 -1.528297 -0.346201
H -1.770897 -1.093776 1.385979
H -2.851643 0.576025 -0.967158
H -3.726917 -0.830836 -0.282792
H 1.194558 0.008943 -1.962199
H 3.349572 -0.371764 1.370165
H 0.291725 2.415618 0.078626
H 1.914945 -4.717477 -0.507558
H 1.383298 -4.228164 1.694359
H 1.821889 -2.605630 2.280861
H 0.121699 -2.993629 1.927036
H 1.887955 -1.719567 -3.650513
H 2.253232 -4.100496 -2.905493
H -5.297557 1.571187 -0.105405
H -5.434031 1.669241 1.674200
H -1.846388 1.855477 1.476880
H -3.325584 2.525864 2.241311
H -3.005663 2.798545 0.486026
H 5.001727 1.496084 1.531725
H 1.954615 4.299746 0.212114
H 4.314290 3.844516 0.946782


