%chk=000216109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216109

0 1
O -4.409894 -0.040149 0.167682
N -1.591227 -0.022895 -0.120809
N 0.411412 -1.248706 -0.571931
N 1.680781 -1.307924 -0.762994
N 3.917958 -0.367970 -0.907224
N 4.745759 -0.722399 0.204630
C -2.341471 -1.313325 -0.175561
C -2.269965 1.013112 0.710068
C -3.770796 -1.032420 -0.662600
C -3.698426 1.210665 0.171938
C -0.198922 -0.046213 -0.174716
C 0.603352 1.105690 0.040510
C 1.977909 1.032796 -0.178809
C 2.503718 -0.225236 -0.589024
C 2.853114 2.218016 0.018933
H -2.355547 -1.805713 0.822034
H -1.830763 -2.018486 -0.876280
H -1.709679 1.973185 0.662754
H -2.306478 0.699819 1.778598
H -3.790140 -0.691571 -1.713022
H -4.430591 -1.909665 -0.533329
H -4.311504 1.834122 0.847536
H -3.698507 1.635208 -0.847916
H 0.146607 2.043045 0.350212
H 3.241819 2.260907 1.046585
H 3.730165 2.188420 -0.654572
H 2.332484 3.165427 -0.175127
H 4.043177 -1.110319 -1.626762
H 4.295859 -1.365346 0.865181
H 4.964795 0.132225 0.724516


%chk=000216109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216109

0 1
O -4.515198 0.008439 0.048494
N -1.631961 -0.076528 0.025442
N 0.275207 -1.273717 -0.664246
N 1.621470 -1.394741 -0.846144
N 3.825744 -0.610094 -0.863188
N 4.853797 -0.370702 0.091585
C -2.421652 -1.318848 -0.153445
C -2.339950 0.974577 0.779114
C -3.788658 -0.985950 -0.767865
C -3.721216 1.239121 0.142463
C -0.245711 -0.100993 -0.144966
C 0.606811 1.015845 0.138375
C 1.986758 0.914992 -0.080964
C 2.465703 -0.352087 -0.558743
C 2.903381 2.104196 0.103780
H -2.570419 -1.812714 0.831408
H -1.842523 -2.001573 -0.794709
H -1.767390 1.916355 0.774993
H -2.479675 0.660960 1.837678
H -3.656554 -0.593035 -1.798979
H -4.438331 -1.875863 -0.790372
H -4.312667 1.928541 0.767779
H -3.583070 1.678074 -0.870183
H 0.200666 1.969873 0.487179
H 3.536083 2.005320 1.005629
H 3.581302 2.203683 -0.764331
H 2.321990 3.037556 0.200283
H 3.940033 -1.508899 -1.346125
H 4.630815 -0.640240 1.057990
H 5.300213 0.542751 -0.007430


