%chk=000241983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241983

0 1
O -7.291676 -0.222479 0.174086
N -0.930806 -0.749664 -0.034723
N 0.244894 1.860281 0.103370
N 2.417632 0.887843 0.030167
N 2.693382 -1.527057 -0.104231
N -1.884118 2.796974 0.289153
N 0.870767 -2.995577 -0.180700
C -1.697955 0.324643 0.042903
C -3.165420 0.163081 0.038507
C 0.437061 -0.574833 -0.032807
C 1.048219 0.732221 0.038005
C -1.095584 1.672010 0.125977
C 1.336732 -1.709377 -0.103631
C 3.183191 -0.234616 -0.040031
C -3.813970 -0.329611 -1.100949
C -3.909518 0.486404 1.191681
C 4.657250 -0.068871 -0.045739
C -5.203976 -0.478784 -1.118408
C -5.289510 0.344987 1.196186
C -5.927152 -0.139255 0.031666
C 5.220551 1.209056 0.126320
C 5.499672 -1.181284 -0.222798
C 6.608119 1.367202 0.121351
C 6.886067 -1.014168 -0.226898
C 7.441492 0.258112 -0.054896
C -8.062564 -0.731115 -0.942150
H -3.229957 -0.602198 -1.981887
H -3.393463 0.844391 2.084956
H -5.695185 -0.858326 -2.007973
H -5.888209 0.585996 2.072408
H 4.567766 2.078353 0.262311
H 5.067552 -2.176535 -0.356146
H -1.442461 3.707209 0.234743
H -2.862529 2.756552 0.049879
H -0.120139 -3.184938 -0.146681
H 1.511717 -3.773499 -0.199371
H 7.039188 2.357848 0.254941
H 7.534525 -1.877281 -0.364161
H 8.523102 0.384824 -0.058323
H -7.770172 -1.760417 -1.168765
H -9.084927 -0.692235 -0.542498
H -7.955587 -0.073469 -1.809245


%chk=000241983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241983

0 1
O -7.372048 -0.246151 0.157193
N -0.925387 -0.581436 -0.226621
N 0.314859 1.938608 0.308772
N 2.455493 0.921998 0.167199
N 2.650439 -1.458755 -0.400788
N -1.765692 2.961476 0.364002
N 0.734170 -2.784755 -0.746554
C -1.690717 0.500974 0.031544
C -3.165361 0.325799 0.046092
C 0.441113 -0.436501 -0.206043
C 1.084437 0.813644 0.101191
C -1.032696 1.799171 0.249295
C 1.300474 -1.574296 -0.456678
C 3.169295 -0.210700 -0.087292
C -3.776214 -0.550443 -0.888412
C -4.001281 0.963732 1.010619
C 4.651920 -0.108386 -0.023107
C -5.168441 -0.769970 -0.894801
C -5.389246 0.747535 1.022943
C -5.982313 -0.112621 0.063558
C 5.264936 1.134572 0.292036
C 5.467957 -1.243801 -0.274855
C 6.669356 1.237523 0.353717
C 6.872949 -1.136857 -0.212322
C 7.479042 0.103187 0.101868
C -8.038391 -1.140246 -0.795489
H -3.139039 -1.059616 -1.618689
H -3.557782 1.589117 1.793527
H -5.603576 -1.442906 -1.639468
H -6.031982 1.220013 1.771712
H 4.616011 1.994729 0.481965
H 4.978114 -2.191611 -0.515528
H -1.243260 3.831611 0.458207
H -2.771738 2.976455 0.219267
H -0.282820 -2.855129 -0.752183
H 1.331657 -3.592067 -0.907162
H 7.135326 2.199044 0.597090
H 7.496480 -2.016763 -0.407484
H 8.571139 0.185103 0.150049
H -7.673643 -2.180287 -0.692256
H -9.105080 -1.093345 -0.532980
H -7.894463 -0.795249 -1.837535


