%chk=000186390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186390

0 1
O -1.317606 -1.474223 0.231343
O -1.778952 0.810303 0.150522
O 2.750875 2.868710 -0.137917
N 1.346528 -0.890081 0.485764
N 3.177176 0.620390 0.030615
N 3.550207 -1.735311 0.034121
C -1.012896 -0.192543 0.796137
C 0.443682 0.195581 0.498053
C -1.280291 -0.349112 2.283854
C 0.874604 1.460581 0.305489
C -1.391118 -1.555349 -1.225318
C -3.226552 0.761880 0.351098
C 2.712987 -0.601070 0.196662
C 2.300223 1.762530 0.042971
C -2.502209 -2.547645 -1.507588
C -3.776683 1.581125 -0.799467
H -0.482440 -0.910166 2.787244
H -2.213027 -0.901161 2.466039
H -1.356429 0.632333 2.771599
H 0.974851 -1.843399 0.500940
H 0.187555 2.309102 0.315131
H -1.591592 -0.552961 -1.647417
H -0.402974 -1.915422 -1.559262
H -3.560271 -0.290015 0.333215
H -3.430488 1.217553 1.335116
H -2.517348 -2.839178 -2.564300
H -2.377846 -3.459989 -0.907295
H -3.487475 -2.136829 -1.255203
H -4.843662 1.792619 -0.667798
H -3.249497 2.544219 -0.881440
H -3.644110 1.072275 -1.762516
H 3.477065 -2.453861 0.744687
H 4.526413 -1.494986 -0.155379


%chk=000186390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186390

0 1
O -1.440965 -1.444658 0.200534
O -1.869722 0.949464 0.118115
O 2.869715 2.720147 -0.438858
N 1.220054 -0.907192 0.466851
N 3.160417 0.424000 -0.029399
N 3.376368 -1.878647 0.331800
C -1.087757 -0.099596 0.735428
C 0.373239 0.210114 0.393499
C -1.297682 -0.229776 2.255680
C 0.900005 1.439420 0.101931
C -1.492259 -1.523352 -1.286504
C -3.314662 0.976570 0.456765
C 2.592451 -0.741566 0.250649
C 2.355836 1.599463 -0.146076
C -1.815953 -2.973716 -1.640076
C -3.968472 1.959100 -0.513110
H -0.580674 -0.952261 2.679486
H -2.315362 -0.592010 2.474498
H -1.136085 0.747207 2.740792
H 0.770600 -1.822468 0.571990
H 0.253945 2.315166 0.035201
H -2.268185 -0.828876 -1.657071
H -0.519832 -1.202676 -1.712629
H -3.737710 -0.042967 0.355515
H -3.442567 1.311713 1.505088
H -1.898586 -3.087757 -2.736247
H -1.028295 -3.659342 -1.280338
H -2.773162 -3.280686 -1.184307
H -5.048646 2.047801 -0.296144
H -3.510185 2.958392 -0.418641
H -3.846452 1.622630 -1.557054
H 3.027868 -2.779626 0.647398
H 4.371412 -1.748115 0.164933


