%chk=000197231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197231

0 1
N -4.049832 -0.371059 0.241566
N -0.930540 0.900005 -0.767738
N 3.681676 -0.044430 0.025968
N 0.446215 2.609117 0.171839
C -3.227012 0.439397 1.185009
C -2.819560 1.823382 0.633101
C 1.467131 0.442820 -0.347734
C -2.127235 1.755332 -0.749350
C 2.709798 0.958701 0.145307
C 1.710448 -0.925779 -0.787539
C 0.325492 1.316536 -0.310774
C 3.105635 -1.197236 -0.536684
C -5.434924 0.159462 0.099503
C -4.037287 -1.818243 0.597252
C 2.856201 2.285166 0.646380
C 0.919674 -1.950760 -1.369088
C 1.668682 3.046233 0.616700
C 3.704611 -2.435631 -0.841088
C -6.113361 -0.264834 -1.217598
C -2.740807 -2.535207 0.174947
C 4.170761 2.829852 1.162460
C 1.512792 -3.194537 -1.678503
C 2.888901 -3.436057 -1.416738
H -3.747703 0.573677 2.167911
H -2.303013 -0.128883 1.396383
H -3.698542 2.492952 0.546219
H -2.127001 2.300282 1.351462
H -1.828997 2.773573 -1.051082
H -2.833647 1.345889 -1.492635
H -1.055852 -0.074982 -1.033498
H 4.656479 0.053033 0.298586
H -5.377726 1.262408 0.122775
H -6.074256 -0.140046 0.969353
H -4.886847 -2.302206 0.082202
H -4.208316 -1.964145 1.694516
H -0.142467 -1.802431 -1.594208
H 1.687998 4.083073 0.978723
H 4.766018 -2.621766 -0.642939
H -7.126643 0.173294 -1.287891
H -6.219079 -1.362027 -1.296924
H -5.518733 0.081354 -2.081281
H -2.788289 -3.608547 0.437803
H -1.849339 -2.113422 0.673483
H -2.601959 -2.450327 -0.918476
H 4.550842 2.250714 2.028047
H 4.959474 2.819783 0.383402
H 4.053684 3.875770 1.495215
H 0.904388 -3.986082 -2.129364
H 3.323864 -4.410068 -1.666577


%chk=000197231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197231

0 1
N -4.046349 -0.365231 0.242271
N -0.921427 0.893167 -0.768752
N 3.677488 -0.042178 0.027568
N 0.425358 2.584329 0.160032
C -3.216935 0.439220 1.185161
C -2.805344 1.822449 0.634807
C 1.462759 0.434564 -0.351375
C -2.113003 1.754201 -0.747900
C 2.699937 0.954756 0.143675
C 1.713939 -0.933196 -0.790849
C 0.320514 1.303205 -0.316080
C 3.109585 -1.197617 -0.536324
C -5.429263 0.172693 0.106253
C -4.040393 -1.813227 0.594964
C 2.834926 2.277018 0.642113
C 0.930537 -1.961951 -1.374572
C 1.640815 3.027876 0.606854
C 3.715997 -2.432424 -0.838897
C -6.116745 -0.248789 -1.207094
C -2.746776 -2.535349 0.172858
C 4.144001 2.831368 1.161925
C 1.531013 -3.202198 -1.682260
C 2.907537 -3.436549 -1.416600
H -3.734095 0.573664 2.169893
H -2.294804 -0.133454 1.392624
H -3.682656 2.494382 0.548199
H -2.111740 2.296935 1.354023
H -1.808792 2.772094 -1.046654
H -2.821390 1.351066 -1.492647
H -1.048231 -0.081155 -1.034074
H 4.651199 0.060879 0.302864
H -5.365694 1.275324 0.128017
H -6.065938 -0.122349 0.979628
H -4.891207 -2.292377 0.077510
H -4.213699 -1.960748 1.691679
H -0.131388 -1.819305 -1.602962
H 1.650163 4.064879 0.967600
H 4.777817 -2.612962 -0.637783
H -7.124154 0.202718 -1.276790
H -6.237696 -1.344745 -1.281240
H -5.519658 0.085667 -2.073714
H -2.800032 -3.609057 0.433063
H -1.853905 -2.119403 0.673670
H -2.605961 -2.448656 -0.920166
H 4.526662 2.254198 2.027668
H 4.934607 2.828540 0.384732
H 4.017775 3.875886 1.495693
H 0.928097 -3.996847 -2.134969
H 3.348346 -4.408212 -1.665237


