%chk=000216359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216359

0 1
O 0.964995 -0.603755 2.699973
N 1.115545 2.853215 -0.115969
N 1.740314 1.962694 -0.957892
N -3.997739 -1.435829 -0.827811
C 0.418136 -0.491108 1.373656
C 0.683872 0.867103 0.784715
C -1.057481 -0.855726 1.567742
C 1.193764 -1.406726 0.400349
C 1.499197 0.750646 -0.420653
C 1.812781 -0.655571 -0.651631
C 0.442995 2.216035 0.958058
C -1.820972 -0.920959 0.243551
C 1.338173 -2.778169 0.450120
C -3.317829 -1.178146 0.485816
C 2.555049 -1.280367 -1.637744
C -0.300475 2.943569 2.001484
C 1.117504 4.295223 -0.448797
C 2.097786 -3.415875 -0.554383
C 2.691257 -2.682362 -1.577721
C -0.161442 4.701476 -1.175695
C -4.147749 -0.176659 -1.616429
C -5.336190 -2.061353 -0.602757
H -1.114064 -1.826109 2.102417
H -1.515636 -0.113909 2.251615
H -1.675921 0.018051 -0.326594
H -1.406073 -1.723028 -0.402941
H 0.879406 -3.361260 1.246802
H -3.435372 -2.085000 1.119361
H -3.767231 -0.335570 1.051821
H 1.907880 -0.339344 2.706773
H 3.020401 -0.707401 -2.437005
H -1.227288 3.389817 1.610648
H -0.588771 2.257201 2.817848
H 0.293830 3.748589 2.458316
H 1.240594 4.874841 0.494096
H 2.008921 4.510647 -1.088627
H 2.214739 -4.497872 -0.522592
H 3.270748 -3.191403 -2.346706
H -0.284830 4.135187 -2.110754
H -0.143012 5.765808 -1.438156
H -1.057828 4.521023 -0.571283
H -4.763624 0.599119 -1.140200
H -4.589344 -0.419877 -2.595855
H -3.147574 0.244838 -1.811151
H -6.039461 -1.457283 -0.012303
H -5.196881 -3.030449 -0.097335
H -5.799598 -2.274769 -1.579373


%chk=000216359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216359

0 1
O 0.959095 -0.668717 2.792814
N 1.035806 2.868590 -0.056905
N 1.702782 1.997371 -0.939158
N -4.118650 -1.381973 -0.789285
C 0.444107 -0.528998 1.400605
C 0.681126 0.851111 0.810748
C -1.040176 -0.947524 1.527186
C 1.252932 -1.402416 0.402664
C 1.471363 0.778494 -0.377275
C 1.840229 -0.617699 -0.642820
C 0.401147 2.207029 1.008586
C -1.840313 -0.910957 0.208772
C 1.452436 -2.790237 0.445601
C -3.326664 -1.239186 0.456098
C 2.615380 -1.224210 -1.650440
C -0.361843 2.922487 2.086963
C 1.012452 4.301209 -0.384796
C 2.236521 -3.403988 -0.567101
C 2.807376 -2.627488 -1.604674
C -0.019237 4.640262 -1.480981
C -4.215162 -0.132806 -1.570241
C -5.451054 -1.961611 -0.524024
H -1.060358 -1.967882 1.957634
H -1.507016 -0.277530 2.276704
H -1.736149 0.089841 -0.251278
H -1.433724 -1.644929 -0.511523
H 1.016029 -3.390022 1.252019
H -3.390131 -2.203658 0.998168
H -3.767133 -0.458420 1.136173
H 1.923012 -0.434093 2.781142
H 3.060694 -0.623426 -2.449836
H -1.254965 3.445109 1.694727
H -0.697180 2.190819 2.838947
H 0.260598 3.674120 2.608700
H 0.795137 4.859809 0.542453
H 2.026871 4.578108 -0.719345
H 2.401868 -4.486999 -0.546299
H 3.406916 -3.117992 -2.379888
H 0.202898 4.066654 -2.396585
H 0.020168 5.718105 -1.721913
H -1.045749 4.393934 -1.155657
H -4.701562 0.704106 -1.003014
H -4.810435 -0.317031 -2.482534
H -3.213592 0.203208 -1.886393
H -6.103037 -1.310580 0.115090
H -5.338529 -2.935192 -0.013856
H -5.978783 -2.135598 -1.479169


