%chk=000213670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213670

0 1
O -1.545760 -0.556060 2.133172
N -0.588385 0.055020 0.153555
N -4.893681 -1.815074 -0.339627
C 0.776956 0.180975 0.747004
C 1.537679 -1.116896 0.517843
C 1.397138 1.471128 0.251513
C 2.736013 -0.526189 -1.703314
C 1.696307 0.537315 -2.070623
C 2.373690 -1.437018 -0.560438
C 1.773483 1.670737 -1.087594
C 1.309519 -2.089288 1.518618
C 1.543698 2.522781 1.170054
C 2.984322 -2.712194 -0.597077
C 2.276158 2.916068 -1.493627
C 1.911672 -3.340794 1.470201
C 2.051748 3.758185 0.763073
C 2.762292 -3.653246 0.401622
C 2.412220 3.957079 -0.573083
C -1.671138 -0.336193 0.938910
C -2.969146 -0.449020 0.204842
C -3.504988 0.624626 -0.515945
C -3.699732 -1.652560 0.281898
C -4.738625 0.466075 -1.152376
C -5.400538 -0.768310 -1.044037
H 0.631946 0.282213 1.872165
H 3.701069 -0.027392 -1.451746
H 2.950050 -1.133223 -2.609757
H 0.679534 0.094728 -2.098004
H 1.881096 0.893570 -3.104744
H -0.653800 0.134020 -0.858165
H 0.630323 -1.850897 2.345435
H 1.256513 2.377919 2.212610
H 3.643588 -2.964704 -1.426749
H 2.567206 3.072304 -2.530720
H 1.723372 -4.072079 2.253598
H 2.163760 4.564664 1.485424
H 3.243196 -4.628767 0.353913
H 2.802276 4.921254 -0.895225
H -2.971386 1.575141 -0.571986
H -3.323696 -2.509317 0.858567
H -5.182766 1.282993 -1.716456
H -6.370084 -0.941075 -1.527625


%chk=000213670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213670

0 1
O -1.611475 -0.372972 2.213268
N -0.602805 -0.091946 0.128733
N -5.338233 -1.197156 0.345447
C 0.773560 0.061454 0.685696
C 1.605768 -1.215791 0.447531
C 1.356079 1.415985 0.275591
C 2.845934 -0.493286 -1.763370
C 1.810485 0.604599 -2.109153
C 2.496847 -1.469845 -0.638108
C 1.771120 1.699931 -1.056017
C 1.412793 -2.231018 1.428118
C 1.408464 2.441974 1.250476
C 3.156456 -2.730238 -0.687123
C 2.218995 3.004820 -1.374972
C 2.074244 -3.471328 1.362673
C 1.863404 3.739149 0.925695
C 2.961314 -3.723252 0.291454
C 2.266534 4.024288 -0.397329
C -1.706525 -0.268750 0.947641
C -3.038116 -0.344308 0.247487
C -3.319677 0.305050 -0.981202
C -4.087207 -1.070309 0.872341
C -4.611731 0.187835 -1.538133
C -5.582390 -0.573442 -0.847365
H 0.590717 0.105140 1.774002
H 3.802734 0.010927 -1.515060
H 3.042348 -1.089183 -2.675650
H 0.819051 0.129940 -2.259777
H 2.084576 1.050768 -3.083027
H -0.712611 -0.145046 -0.884612
H 0.717896 -2.032039 2.253168
H 1.081074 2.222454 2.273780
H 3.840868 -2.928259 -1.522069
H 2.539674 3.221348 -2.401565
H 1.902397 -4.228029 2.135662
H 1.898201 4.517311 1.695754
H 3.488960 -4.680635 0.217806
H 2.616206 5.027432 -0.665483
H -2.563775 0.924740 -1.478074
H -3.903264 -1.557282 1.835495
H -4.868800 0.684451 -2.478809
H -6.596991 -0.686983 -1.245818


