%chk=000245863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245863

0 1
O -1.002101 -2.116527 -0.709369
N 1.611427 -1.059841 0.141104
N -4.323325 1.758706 -0.964867
C -3.319780 -0.327120 0.075660
C -2.141533 -0.852283 0.915102
C -4.658023 -0.605642 0.789784
C -3.179521 1.190844 -0.196051
C -0.847061 -0.931280 0.097260
C -5.838714 -0.026035 -0.000617
C 0.396741 -1.099273 1.007192
C -5.622451 1.470494 -0.291827
C 2.415124 -2.319287 0.229174
C 3.555977 -2.274602 -0.793247
C 2.346257 0.164929 0.094571
C 4.488504 -1.101604 -0.479663
C 3.721211 0.174797 -0.270857
C 1.683563 1.394658 0.291288
C 4.381334 1.395955 -0.428762
C 2.366693 2.601022 0.128303
C 3.715153 2.609506 -0.229251
H -3.318296 -0.873011 -0.901593
H -2.382856 -1.873110 1.282336
H -1.998623 -0.226580 1.814202
H -4.641468 -0.172451 1.807719
H -4.794787 -1.695339 0.920966
H -3.098503 1.748355 0.761713
H -2.247671 1.401730 -0.762407
H -0.722064 -0.063603 -0.589252
H -5.967735 -0.582593 -0.948030
H -6.778104 -0.169025 0.563845
H 0.319885 -2.070213 1.543559
H 0.412473 -0.316897 1.795679
H -6.438708 1.866251 -0.931739
H -5.654345 2.052108 0.655435
H -4.332633 1.348058 -1.906292
H 1.733179 -3.170755 0.007240
H 2.822111 -2.479693 1.251772
H 3.142536 -2.162624 -1.816473
H 4.111319 -3.230064 -0.785133
H 5.224250 -0.980866 -1.300677
H 5.085847 -1.317850 0.431206
H -0.224382 -2.214317 -1.300386
H 0.630849 1.421872 0.559488
H 5.433905 1.406366 -0.710568
H 1.837692 3.540985 0.281118
H 4.245251 3.549250 -0.355156


%chk=000245863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245863

0 1
O -0.764890 -1.358594 -0.989520
N 1.682051 -0.919428 0.360350
N -4.708081 1.647065 -0.921263
C -3.374267 -0.305628 0.048066
C -2.132844 -0.679009 0.892650
C -4.674047 -0.807891 0.730365
C -3.484394 1.229954 -0.193738
C -0.790938 -0.462969 0.179114
C -5.938386 -0.399731 -0.063395
C 0.412268 -0.792011 1.105581
C -5.951793 1.135521 -0.294648
C 2.278162 -2.277244 0.320343
C 3.330663 -2.384920 -0.795686
C 2.517363 0.208725 0.153546
C 4.444049 -1.344959 -0.559553
C 3.865679 0.044618 -0.312436
C 2.032971 1.531915 0.378961
C 4.660535 1.189575 -0.535760
C 2.854525 2.656086 0.160396
C 4.179649 2.497032 -0.301133
H -3.275754 -0.805240 -0.937704
H -2.195075 -1.750332 1.174783
H -2.136513 -0.091774 1.836154
H -4.734357 -0.378278 1.754360
H -4.633297 -1.908853 0.849202
H -3.485052 1.744842 0.791357
H -2.609777 1.602691 -0.757932
H -0.704484 0.588732 -0.169735
H -5.944530 -0.917776 -1.044631
H -6.853659 -0.712162 0.478362
H 0.208589 -1.764515 1.591811
H 0.492908 -0.032324 1.909311
H -6.810716 1.433190 -0.924229
H -6.069764 1.646282 0.683317
H -4.655621 1.384007 -1.916074
H 1.460915 -3.000674 0.149561
H 2.750484 -2.528678 1.298026
H 2.845867 -2.209674 -1.775507
H 3.748359 -3.408459 -0.807123
H 5.135677 -1.314920 -1.422173
H 5.050983 -1.659610 0.314965
H 0.161701 -1.306766 -1.350637
H 1.006940 1.694236 0.720230
H 5.686323 1.046438 -0.900179
H 2.450412 3.657972 0.345862
H 4.819763 3.366937 -0.480120


