%chk=000299506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299506

0 1
O 0.136808 -0.703145 2.129062
O -0.910608 -1.241810 -1.997265
N -2.123753 -2.010653 -0.227215
C -0.667133 0.862000 0.546945
C -1.587339 0.393857 -0.398882
C 0.381494 -0.043698 1.140597
C -1.490848 -1.006559 -0.942495
C -0.728441 2.191662 0.981764
C -2.570540 1.250751 -0.908410
C 1.714438 -0.042664 0.477715
C -1.711995 3.045822 0.474349
C -2.632680 2.575939 -0.468140
C 1.836061 0.049462 -0.915813
C 2.862360 -0.160696 1.278954
C -1.983840 -3.417142 -0.666755
C -2.684859 -1.787677 1.122457
C 3.105204 0.040772 -1.502211
C 4.127005 -0.158507 0.688446
C 4.248068 -0.056464 -0.702701
H -0.011121 2.559671 1.715723
H -3.277892 0.884170 -1.653663
H -3.396856 3.244186 -0.864289
H -1.759143 4.080378 0.813488
H 0.943257 0.103390 -1.551004
H 2.756300 -0.259362 2.360994
H -1.378456 -4.002173 0.044824
H -1.482593 -3.459067 -1.655719
H -2.976555 -3.884233 -0.767815
H -3.309500 -2.639435 1.432750
H -1.879529 -1.655735 1.876305
H -3.317434 -0.883635 1.136917
H 3.198856 0.105324 -2.585708
H 5.017681 -0.243111 1.308371
H 5.235682 -0.058221 -1.163174


%chk=000299506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299506

0 1
O 0.283842 -1.350038 1.127455
O -1.397000 -1.710478 -1.942186
N -2.579973 -2.205550 0.013100
C -0.533682 0.647403 0.071197
C -1.763339 0.110077 -0.413000
C 0.572248 -0.277797 0.505699
C -1.880448 -1.349739 -0.818954
C -0.411387 2.049195 0.259774
C -2.833427 0.986336 -0.709923
C 2.001914 0.080343 0.230110
C -1.492233 2.913117 -0.019211
C -2.706160 2.379414 -0.508105
C 2.373710 0.930770 -0.846396
C 3.014706 -0.508528 1.034906
C -2.705215 -3.621183 -0.370742
C -2.933755 -1.877010 1.402261
C 3.736569 1.192277 -1.105422
C 4.373054 -0.234761 0.783797
C 4.737393 0.617856 -0.287560
H 0.525449 2.457608 0.653570
H -3.765887 0.574008 -1.111225
H -3.547319 3.042927 -0.736977
H -1.388367 3.991077 0.144286
H 1.601642 1.354650 -1.496680
H 2.710193 -1.181148 1.843691
H -2.057092 -4.255660 0.264993
H -2.387299 -3.727304 -1.419096
H -3.753238 -3.955591 -0.259181
H -3.948525 -2.253212 1.629916
H -2.208314 -2.333428 2.102697
H -2.917588 -0.788157 1.556572
H 4.018452 1.834902 -1.946543
H 5.148542 -0.684644 1.413233
H 5.794631 0.825663 -0.487654


