%chk=000213659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213659

0 1
O 3.645726 0.499112 0.115120
O -1.920309 -2.412570 1.002650
N -5.234478 0.061166 0.186107
C -5.546585 0.167598 -1.277986
C -6.474219 -0.234001 0.979286
C -6.561937 1.297775 -1.516198
C -7.505408 0.888528 0.773988
C -7.846038 1.061896 -0.711279
C -4.185755 -0.980982 0.434760
C -2.803811 -0.332603 0.243200
C -1.688465 -1.282550 0.613426
C -0.287733 -0.795659 0.478556
C 0.032138 0.529279 0.124108
C 1.354167 0.946444 0.008690
C 0.746611 -1.710281 0.725919
C 2.381000 -0.005986 0.261253
C 5.979259 0.518531 0.076284
C 7.298170 -0.235630 0.273030
C 2.084646 -1.327724 0.617465
C 1.695350 2.363583 -0.359397
C 4.784722 -0.396103 0.335537
C 8.504320 0.678234 0.012917
C 1.516083 3.310229 0.827026
C 9.824081 -0.064010 0.206986
H -4.599749 0.399929 -1.811077
H -5.933549 -0.783503 -1.703713
H -6.926499 -1.215127 0.719644
H -6.186300 -0.279096 2.052343
H -6.110002 2.265225 -1.218811
H -6.788250 1.374277 -2.594594
H -8.416543 0.667437 1.358130
H -7.096621 1.837982 1.174568
H -8.542440 1.909572 -0.846508
H -8.373716 0.165890 -1.088751
H -4.262023 -1.359415 1.479132
H -4.279061 -1.876008 -0.217167
H -2.681821 0.011809 -0.803294
H -2.749037 0.590120 0.861791
H -0.764186 1.252691 -0.062140
H 0.491289 -2.737980 1.008049
H 5.925564 1.398754 0.749406
H 5.913700 0.934371 -0.949828
H 7.354812 -0.643544 1.301239
H 7.341612 -1.111499 -0.403507
H 4.743356 -0.765880 1.373499
H 4.718488 -1.231429 -0.380987
H 2.866544 -2.053661 0.812453
H 2.745674 2.417595 -0.723195
H 1.067703 2.695754 -1.211128
H 8.452895 1.087140 -1.015550
H 8.465604 1.555340 0.688811
H 2.156102 3.015174 1.668012
H 1.778131 4.338647 0.556380
H 0.482581 3.313516 1.190996
H 9.926671 -0.448964 1.228088
H 9.914052 -0.916922 -0.475488
H 10.679488 0.595426 0.019551


%chk=000213659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213659

0 1
O 3.647559 0.649048 0.052776
O -1.951227 -2.387267 1.160900
N -5.382622 -0.022024 0.272931
C -5.546160 0.443873 -1.129036
C -6.657331 -0.582527 0.796684
C -6.644082 1.521804 -1.238975
C -7.789356 0.463307 0.752295
C -7.987262 0.995689 -0.685234
C -4.265176 -0.988404 0.429801
C -2.889472 -0.318221 0.271249
C -1.729517 -1.230078 0.685744
C -0.329505 -0.725590 0.522982
C -0.027720 0.578810 0.038501
C 1.294521 1.039658 -0.111051
C 0.747668 -1.584373 0.862371
C 2.354494 0.144625 0.234262
C 6.066160 0.569541 0.049981
C 7.348498 -0.242609 0.344938
C 2.079862 -1.160707 0.719197
C 1.597893 2.447339 -0.597342
C 4.797797 -0.228089 0.358442
C 8.639412 0.549414 0.034709
C 2.001115 3.404747 0.556819
C 9.922262 -0.257254 0.328445
H -4.584973 0.859103 -1.482729
H -5.804030 -0.416133 -1.805802
H -6.971660 -1.486326 0.207905
H -6.485724 -0.913543 1.837992
H -6.328874 2.410476 -0.658373
H -6.750265 1.831037 -2.296940
H -8.724118 0.009073 1.134120
H -7.524251 1.302839 1.423940
H -8.754868 1.792544 -0.703452
H -8.356453 0.174688 -1.334559
H -4.323298 -1.423512 1.443333
H -4.348231 -1.847077 -0.282791
H -2.719614 0.013946 -0.771930
H -2.872023 0.601368 0.891549
H -0.840901 1.263063 -0.229351
H 0.510646 -2.585979 1.236261
H 6.060899 1.498476 0.652142
H 6.048528 0.875268 -1.013764
H 7.359353 -0.551106 1.411366
H 7.344921 -1.178758 -0.251781
H 4.762564 -0.522844 1.427715
H 4.739476 -1.143631 -0.265929
H 2.893067 -1.842627 0.982713
H 2.423674 2.416648 -1.331993
H 0.708245 2.852783 -1.115221
H 8.629680 0.857961 -1.030350
H 8.643839 1.484978 0.629944
H 2.909839 3.036167 1.062864
H 2.210641 4.417772 0.166922
H 1.193720 3.484106 1.307129
H 9.971245 -0.551910 1.393752
H 9.957476 -1.182335 -0.277385
H 10.829665 0.330674 0.099113


