%chk=000245283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245283

0 1
O 1.118809 0.057132 2.425204
O 1.153240 1.332883 -2.223171
N -0.284820 1.466552 0.406231
N 2.778225 0.040691 -1.316452
N 2.785501 -0.579322 1.025235
N 4.464715 -1.417525 -0.402004
C -1.515186 0.778977 0.119152
C 0.939928 0.772728 0.116604
C -1.603635 -0.621799 0.171144
C -2.852030 -1.244495 0.031843
C -2.672674 1.559344 -0.085971
C 1.515691 0.789933 -1.204111
C 1.587630 0.106512 1.162926
C -4.006197 -0.469406 -0.162505
C -3.905806 0.923124 -0.221343
C -2.943541 -2.735998 0.075805
C 3.332707 -0.622684 -0.214760
H -0.257455 2.424377 0.031286
H -0.710702 -1.225143 0.308956
H -2.610472 2.641936 -0.139454
H -4.974368 -0.948390 -0.272526
H -4.803514 1.521564 -0.378730
H 3.197151 -0.022450 -2.249185
H -2.263980 -3.169717 0.822084
H -3.954353 -3.089516 0.316903
H -2.672587 -3.168252 -0.899211
H 5.111853 -1.194978 -1.143112
H 4.891777 -1.808248 0.436075
H 0.249494 0.583770 2.503092


%chk=000245283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245283

0 1
O 0.545533 -0.609677 1.786279
O 1.797349 1.868583 -2.213028
N -0.273880 1.210814 -0.477362
N 3.278925 0.436028 -1.090112
N 2.633606 -0.810695 0.835304
N 4.820343 -0.998991 0.023180
C -1.546380 0.662785 -0.228044
C 0.979449 0.576126 -0.332538
C -1.745769 -0.736519 -0.037200
C -3.036695 -1.260199 0.242198
C -2.671476 1.536962 -0.160338
C 1.987525 1.012270 -1.286687
C 1.377825 -0.257263 0.735010
C -4.136118 -0.374185 0.329840
C -3.947189 1.013572 0.109539
C -3.224205 -2.759178 0.402982
C 3.552383 -0.460653 -0.065152
H -0.227165 2.070005 -1.035961
H -0.920155 -1.434594 -0.220808
H -2.528297 2.614562 -0.301906
H -5.134814 -0.764705 0.554486
H -4.805094 1.693435 0.164487
H 3.993092 0.740953 -1.757940
H -2.439339 -3.199803 1.044127
H -4.205290 -2.996866 0.848701
H -3.170602 -3.272235 -0.576722
H 5.558601 -0.798477 -0.644484
H 4.992844 -1.638467 0.795158
H -0.409604 -0.381987 1.596995


