%chk=000260397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260397

0 1
O 2.146403 0.987101 0.282078
N -3.852101 -2.666075 -0.532747
N -2.945093 3.088108 0.552011
C -3.274333 -0.297557 -0.965322
C -2.865864 0.992056 -0.354894
C -3.318046 -1.415079 0.097552
C -1.520227 1.381594 -0.014310
C -1.593162 2.699146 0.552215
C -3.705184 2.043859 -0.000358
C -0.268419 0.742618 -0.135964
C -4.427910 -3.599421 0.494404
C -0.443937 3.388473 0.998612
C 0.840757 1.440797 0.309284
C -2.789517 -3.361775 -1.319595
C 0.772158 2.754684 0.875051
C -5.764716 -3.056105 1.001914
C 2.389245 -0.323272 -0.312393
C 3.870024 -0.554831 -0.182712
C 4.497889 -1.457828 -1.054183
C 4.616614 0.099639 0.806119
C 5.867225 -1.705148 -0.928338
C 5.987149 -0.148092 0.922299
C 6.613512 -1.051609 0.058279
H -4.270080 -0.214024 -1.450222
H -2.575706 -0.571511 -1.782839
H -3.999008 -1.102810 0.920063
H -2.314820 -1.544945 0.554907
H -4.773441 2.116608 -0.104243
H -3.299784 3.962079 0.880884
H -0.217310 -0.249658 -0.564888
H -4.599499 -4.585074 0.006912
H -3.739748 -3.782475 1.347299
H -0.523915 4.385346 1.423079
H -2.391086 -2.668439 -2.078020
H -3.243344 -4.205017 -1.864464
H -1.946960 -3.742544 -0.724732
H 1.700761 3.223920 1.194198
H -6.427579 -2.806844 0.161793
H -6.275994 -3.792407 1.629369
H -5.637978 -2.139736 1.589849
H 2.055565 -0.291710 -1.365899
H 1.812926 -1.079189 0.254578
H 3.925939 -1.965086 -1.827944
H 4.120321 0.807661 1.473000
H 6.354773 -2.407042 -1.602760
H 6.566656 0.364416 1.688469
H 7.680143 -1.245201 0.151609


%chk=000260397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260397

0 1
O 2.126750 1.126140 0.312848
N -3.707542 -2.667343 -0.577700
N -3.050222 3.219207 0.536581
C -3.338969 -0.197917 -0.994597
C -2.941534 1.119667 -0.374909
C -3.296213 -1.372796 0.020625
C -1.599990 1.537787 -0.000638
C -1.697719 2.854910 0.566159
C -3.792269 2.172927 -0.031017
C -0.325514 0.912512 -0.107477
C -4.150055 -3.663422 0.436439
C -0.561036 3.557598 1.027000
C 0.802960 1.618695 0.354611
C -2.665481 -3.225412 -1.465875
C 0.688843 2.927240 0.917127
C -5.509015 -3.320878 1.075819
C 2.320200 -0.221163 -0.223715
C 3.789763 -0.591323 -0.124654
C 4.273029 -1.695303 -0.871469
C 4.680176 0.116776 0.716880
C 5.624087 -2.093743 -0.770910
C 6.034285 -0.278683 0.812849
C 6.510839 -1.385363 0.073553
H -4.364147 -0.144721 -1.404104
H -2.669459 -0.420117 -1.849030
H -3.989320 -1.129190 0.844311
H -2.272642 -1.438381 0.472593
H -4.871022 2.251981 -0.156132
H -3.430435 4.104604 0.861721
H -0.242826 -0.086554 -0.544846
H -4.244107 -4.636185 -0.083564
H -3.380147 -3.805569 1.239325
H -0.637855 4.562185 1.457192
H -2.432159 -2.514658 -2.277035
H -3.034516 -4.155620 -1.933468
H -1.709394 -3.461561 -0.929381
H 1.603865 3.422155 1.255923
H -6.275528 -3.195739 0.291149
H -5.825919 -4.134581 1.754483
H -5.470656 -2.390662 1.670559
H 1.981421 -0.261558 -1.281050
H 1.701309 -0.939172 0.359098
H 3.593759 -2.244991 -1.536242
H 4.304940 0.976316 1.278978
H 5.985299 -2.948642 -1.353709
H 6.716873 0.278482 1.464726
H 7.560592 -1.690336 0.149973


