%chk=000245805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245805

0 1
N 5.661075 0.258804 -0.563215
N -5.661137 -0.258015 -0.563270
N 4.974482 -0.175941 0.398112
N -4.974505 0.175654 0.398524
N 11.292065 0.485869 -0.366374
N -11.292135 -0.485061 -0.366487
N 7.157626 0.837548 -2.843895
N -7.157763 -0.834743 -2.844369
C 0.738972 -0.019050 0.265132
C -0.738998 0.018876 0.265190
C 9.177675 -0.058211 0.770455
C -9.177683 0.057737 0.770836
C 9.897362 0.344678 -0.402360
C -9.897431 -0.343938 -0.402368
C 7.075991 0.231042 -0.459013
C -7.076036 -0.230389 -0.458972
C 1.471769 1.032497 -0.307480
C -1.416697 1.107254 0.841476
C 1.416692 -1.108343 0.839663
C -1.471817 -1.031761 -0.309063
C 7.796109 -0.104598 0.712937
C -7.796119 0.104104 0.713329
C 7.803823 0.603236 -1.633413
C -7.803926 -0.601420 -1.633720
C 9.214299 0.665157 -1.583760
C -9.214411 -0.663275 -1.584108
C 3.538078 -0.093590 0.264016
C -3.538109 0.093421 0.264289
C 2.866344 0.997416 -0.314958
C -2.809353 1.147299 0.848917
C 2.809349 -1.148399 0.846993
C -2.866391 -0.996668 -0.316432
C 9.897433 -0.408527 2.032876
C -9.897390 0.406817 2.033630
H 7.222231 -0.403680 1.597519
H -7.222205 0.402270 1.598198
H 0.948016 1.876354 -0.755623
H -0.848057 1.919603 1.293659
H 0.848068 -1.921410 1.290574
H -0.948081 -1.874906 -0.758563
H 9.767065 0.960808 -2.468881
H -9.767219 -0.958003 -2.469503
H 3.435176 1.810918 -0.763289
H -3.338586 1.985103 1.303541
H 3.338597 -1.986923 1.300268
H -3.435240 -1.809462 -0.766026
H 10.551372 -1.280245 1.900500
H 10.505037 0.432904 2.395365
H 9.200480 -0.661093 2.844928
H -10.504853 -0.435026 2.395400
H -9.200407 0.658745 2.845853
H -10.551464 1.278562 1.902103
H 11.804586 0.018551 0.363765
H 11.786291 0.538341 -1.242571
H -11.804633 -0.018525 0.364150
H -11.786412 -0.536753 -1.242686
H 7.642062 1.330650 -3.573040
H 6.151020 0.934797 -2.849185
H -7.642318 -1.326693 -3.574189
H -6.151164 -0.931869 -2.849886


%chk=000245805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245805

0 1
N 5.734115 0.741523 -0.233577
N -5.734159 -0.741045 -0.234204
N 5.024348 -0.334289 0.060826
N -5.024401 0.334451 0.061378
N 11.361339 0.457810 -0.158272
N -11.361387 -0.457545 -0.158272
N 7.207826 2.929708 -0.855756
N -7.207855 -2.928608 -0.858604
C 0.741173 -0.032035 0.016329
C -0.741223 0.032320 0.016378
C 9.218360 -0.686018 0.165302
C -9.218416 0.685996 0.166372
C 9.969932 0.504521 -0.170976
C -9.969980 -0.504205 -0.171112
C 7.126427 0.590691 -0.194351
C -7.126472 -0.590287 -0.194743
C 1.533504 1.120291 -0.277820
C -1.431497 1.244053 0.313726
C 1.431436 -1.244160 0.312095
C -1.533545 -1.119632 -0.279258
C 7.824214 -0.607134 0.143077
C -7.824270 0.607165 0.143986
C 7.889055 1.773558 -0.528460
C -7.889093 -1.772818 -0.530056
C 9.303985 1.707902 -0.510258
C -9.304023 -1.707213 -0.511702
C 3.613593 -0.147542 0.020813
C -3.613645 0.147779 0.021078
C 2.935012 1.071596 -0.278803
C -2.834960 1.301205 0.317987
C 2.834898 -1.301337 0.316258
C -2.935053 -1.070958 -0.280141
C 9.942415 -1.969341 0.528936
C -9.942466 1.968927 0.531397
H 7.212742 -1.481435 0.390376
H -7.212801 1.481217 0.392172
H 1.034134 2.059310 -0.542846
H -0.861330 2.140856 0.579528
H 0.861257 -2.141301 0.576731
H -1.034161 -2.058294 -0.545521
H 9.890702 2.600471 -0.762363
H -9.890735 -2.599528 -0.764716
H 3.527610 1.959914 -0.516867
H -3.364493 2.228946 0.559373
H 3.364422 -2.229399 0.556429
H -3.527645 -1.958974 -0.519348
H 10.586448 -2.335673 -0.297212
H 10.585669 -1.847711 1.424986
H 9.219685 -2.770067 0.755965
H -10.585636 1.846369 1.427380
H -9.219727 2.769430 0.759188
H -10.586576 2.336107 -0.294314
H 11.852798 -0.397355 0.082589
H 11.911028 1.280965 -0.388191
H -11.852854 0.397354 0.083510
H -11.911068 -1.280473 -0.389023
H 7.689887 3.789941 -1.095993
H 6.188734 2.881634 -0.841674
H -7.689909 -3.788600 -1.099720
H -6.188763 -2.880530 -0.844512


