%chk=000200080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200080

0 1
O 1.857719 -2.394887 -1.694715
O -1.441691 -1.475820 1.506914
N 3.419866 -1.133884 -0.457140
N 3.373484 -0.186584 0.559450
N -3.247357 -0.336229 0.491304
N -3.405021 0.540455 -0.580385
C 1.146097 -0.817440 0.088873
C 2.120876 0.041777 0.900372
C 0.163949 -0.006124 -0.687956
C 2.106314 -1.590958 -0.838744
C -1.149454 0.004272 -0.438264
C 1.700836 0.984475 1.938420
C -2.224854 0.758991 -1.139903
C -1.872404 -0.734598 0.654450
C 4.698911 -1.555525 -0.973664
C -2.015507 1.630539 -2.301270
C 0.606524 0.682249 2.766097
C 2.400301 2.191680 2.111187
C -4.400643 -0.751500 1.248128
C 4.737527 -2.496055 -2.018109
C 5.888265 -1.027503 -0.436855
C -1.356664 1.132344 -3.437399
C -2.475439 2.956400 -2.275482
C 0.212164 1.588945 3.751997
C 1.997047 3.092380 3.099670
C 0.903423 2.793901 3.918864
C -4.231421 -1.662488 2.305897
C -5.675475 -0.245497 0.931177
C 5.976006 -2.901175 -2.520466
C 7.112968 -1.447697 -0.956286
C -1.149439 1.967339 -4.537405
C -2.261208 3.784255 -3.380961
C 7.163344 -2.382081 -1.996523
C -1.597367 3.292885 -4.509362
C -5.348462 -2.060115 3.043496
C -6.775668 -0.658209 1.683008
C -6.618866 -1.562958 2.738831
H 0.629994 -1.557204 0.774899
H 0.586052 0.602264 -1.500327
H 0.065791 -0.261809 2.649017
H 3.258358 2.419909 1.477342
H 3.818234 -2.914170 -2.437036
H 5.857367 -0.300911 0.376340
H -1.024791 0.094655 -3.468065
H -3.001385 3.333687 -1.397845
H -0.636831 1.353592 4.393830
H 2.538521 4.028172 3.232980
H 0.590983 3.498449 4.688733
H -3.244212 -2.061750 2.553406
H -5.805112 0.458060 0.107309
H 6.010680 -3.631095 -3.329578
H 8.037287 -1.042722 -0.544287
H -0.641315 1.582968 -5.421372
H -2.616314 4.814128 -3.362718
H 8.123044 -2.704037 -2.394554
H -1.432488 3.940763 -5.369405
H -5.222463 -2.766941 3.863784
H -7.765441 -0.270602 1.441976
H -7.482836 -1.879064 3.318921


%chk=000200080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200080

0 1
O 1.678967 -2.405724 -1.502347
O -1.428821 -1.499193 1.569335
N 3.384053 -1.133671 -0.399511
N 3.455544 -0.129763 0.607286
N -3.267608 -0.451730 0.433724
N -3.450540 0.437622 -0.670047
C 1.168686 -0.689103 0.277892
C 2.218857 0.148725 1.005315
C 0.178317 0.121099 -0.519865
C 2.057246 -1.543779 -0.671286
C -1.181502 0.020065 -0.406582
C 1.945950 1.143038 2.050627
C -2.237518 0.716955 -1.165521
C -1.910538 -0.765223 0.648299
C 4.606861 -1.615565 -0.969242
C -2.097584 1.616948 -2.325164
C 0.686871 1.168065 2.713153
C 2.947183 2.084341 2.425516
C -4.426825 -0.904862 1.139272
C 4.591848 -2.618391 -1.974765
C 5.837956 -1.075964 -0.513822
C -1.101186 1.402191 -3.317620
C -2.996591 2.709103 -2.476372
C 0.436828 2.119140 3.724704
C 2.690259 3.031381 3.434230
C 1.432650 3.055016 4.087022
C -4.303158 -1.805884 2.230140
C -5.705270 -0.440955 0.733958
C 5.815156 -3.069019 -2.515160
C 7.047945 -1.540533 -1.067382
C -0.997698 2.272973 -4.423609
C -2.890913 3.574308 -3.583193
C 7.046976 -2.538009 -2.070315
C -1.886614 3.364134 -4.558558
C -5.466255 -2.231613 2.906101
C -6.853987 -0.879148 1.423281
C -6.744662 -1.775013 2.512411
H 0.616628 -1.356406 0.971447
H 0.603082 0.815786 -1.256353
H -0.080210 0.425931 2.466381
H 3.913668 2.061246 1.912205
H 3.642847 -3.035347 -2.317029
H 5.829649 -0.309181 0.263420
H -0.444382 0.527615 -3.257444
H -3.765923 2.868994 -1.714040
H -0.532540 2.124519 4.234495
H 3.464799 3.754588 3.711887
H 1.233512 3.794287 4.870630
H -3.317043 -2.161956 2.534247
H -5.780083 0.245588 -0.111810
H 5.799108 -3.844064 -3.289323
H 7.995221 -1.121036 -0.710882
H -0.232675 2.090860 -5.186118
H -3.585879 4.414943 -3.684829
H 7.990460 -2.896060 -2.495846
H -1.802516 4.039181 -5.417196
H -5.367086 -2.927784 3.746266
H -7.838672 -0.519239 1.105031
H -7.641045 -2.112524 3.043549


