%chk=000230674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230674

0 1
O 3.757096 -1.118871 -0.260268
O 1.257046 1.352755 -1.045740
O -0.939934 -0.730168 2.187775
N -1.169874 0.106831 0.078581
N -2.097096 -0.875149 -0.340564
C 1.861650 0.749986 1.196954
C 1.946971 0.332494 -0.287380
C 3.395459 0.163797 -0.816744
C 2.840379 1.891009 1.531427
C 4.359177 1.269369 -0.374281
C 4.271420 1.514333 1.135075
C 0.435161 1.180649 1.585586
C -0.590983 0.093511 1.360406
C 4.919779 -1.746709 -0.863017
C 4.971257 -3.113005 -0.203525
C -3.487366 -0.462312 -0.284881
C -4.459250 -1.482917 -0.228106
C -3.880327 0.879777 -0.424284
C -5.809838 -1.151517 -0.330039
C -5.238831 1.191256 -0.518020
C -6.205862 0.183109 -0.474544
H 2.149268 -0.157238 1.793602
H 1.397972 -0.627661 -0.450916
H 3.385396 0.084337 -1.928009
H 2.532865 2.814422 1.001056
H 2.795079 2.122243 2.611953
H 5.395295 1.004720 -0.655609
H 4.115001 2.201717 -0.921920
H 4.588259 0.598794 1.676053
H 4.973604 2.313785 1.434395
H 0.409379 1.452962 2.663516
H 0.167049 2.106639 1.030530
H 1.428510 1.252518 -2.000862
H 5.808847 -1.133588 -0.634336
H 4.772949 -1.808193 -1.954981
H -0.785748 0.669987 -0.694305
H 4.065784 -3.694932 -0.423201
H 5.020202 -3.019618 0.890674
H 5.839859 -3.689540 -0.537350
H -1.945911 -1.753003 0.202990
H -4.163192 -2.522753 -0.110136
H -3.139702 1.674693 -0.456266
H -6.561736 -1.939134 -0.291254
H -5.544319 2.231530 -0.625423
H -7.260746 0.433684 -0.549111


%chk=000230674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230674

0 1
O 3.679628 -1.173095 -0.201552
O 0.990720 1.310772 -0.816341
O -0.782368 -0.903783 2.640127
N -1.236862 0.225216 0.658488
N -2.151369 -0.779222 0.266690
C 1.947111 0.715242 1.365413
C 1.786315 0.267651 -0.104100
C 3.145395 0.054817 -0.815614
C 2.929072 1.908331 1.500925
C 4.089075 1.265661 -0.660683
C 4.290774 1.624339 0.827368
C 0.587232 1.080446 2.035429
C -0.522756 0.051448 1.838623
C 4.827401 -1.761727 -0.911077
C 5.106186 -3.120949 -0.269606
C -3.456218 -0.411724 -0.143551
C -4.411437 -1.444502 -0.364585
C -3.816517 0.937747 -0.405286
C -5.700577 -1.125634 -0.833322
C -5.111406 1.239920 -0.881066
C -6.062488 0.217746 -1.101294
H 2.376989 -0.161932 1.888380
H 1.235048 -0.693592 -0.146981
H 2.959405 -0.141832 -1.901633
H 2.469025 2.802518 1.034105
H 3.071798 2.138377 2.574473
H 5.056732 1.056314 -1.154940
H 3.636898 2.127049 -1.192759
H 4.792610 0.781894 1.341988
H 4.952408 2.506430 0.918051
H 0.746145 1.183160 3.122724
H 0.254746 2.059379 1.643319
H 1.023778 1.129610 -1.790287
H 5.714203 -1.098306 -0.826693
H 4.579068 -1.870490 -1.990814
H -0.784598 0.773732 -0.093724
H 4.229582 -3.783700 -0.367494
H 5.328591 -3.000941 0.804782
H 5.972738 -3.606215 -0.754721
H -2.056246 -1.601789 0.878075
H -4.136741 -2.488690 -0.170938
H -3.098451 1.740209 -0.210120
H -6.426932 -1.931035 -0.992481
H -5.378718 2.285819 -1.072788
H -7.064991 0.459935 -1.469008


