%chk=000280087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280087

0 1
O -2.139331 2.751493 1.114412
N -0.711694 -1.203053 -0.059424
N -0.851083 3.367902 -0.640961
C 0.634402 -0.725540 -0.063269
C 0.572088 0.672595 0.015721
C -1.595970 -0.113858 0.029949
C -0.808915 1.044763 0.091312
C 1.711908 -1.691885 -0.124658
C 1.385802 -3.070686 -0.198405
C -1.015062 -2.582444 -0.102860
C 1.687676 1.621292 0.017807
C -3.053042 -0.255818 0.021869
C -0.006626 -3.484765 -0.180004
C 3.070693 -1.304445 -0.103672
C -1.326134 2.418503 0.263109
C 2.422107 -4.029641 -0.272890
C 2.045802 2.283617 1.202653
C 2.383957 1.890786 -1.172672
C -3.694808 -0.982830 -0.996133
C -3.814435 0.361005 1.027592
C 4.073034 -2.260064 -0.174293
C 3.748870 -3.628161 -0.263760
C 3.096528 3.204663 1.194668
C 3.432557 2.813371 -1.172007
C -5.084870 -1.111632 -0.988411
C -5.205441 0.226990 1.027157
C 3.790341 3.470944 0.009853
C -5.841144 -0.512588 0.025623
H -2.075113 -2.850742 -0.059354
H -0.221537 -4.553021 -0.219520
H 3.329805 -0.246961 -0.025372
H 2.168845 -5.087036 -0.335146
H 1.500554 2.076953 2.123993
H 2.106922 1.373545 -2.090243
H -3.112053 -1.427493 -1.801104
H -3.315182 0.970390 1.791517
H 5.119299 -1.956773 -0.158829
H 4.547494 -4.366368 -0.321803
H 3.373803 3.717116 2.115100
H 3.972970 3.020646 -2.094373
H -5.582068 -1.673074 -1.777332
H -5.793068 0.709028 1.807807
H -0.097439 3.175540 -1.278695
H -1.108217 4.335551 -0.525207
H 4.607773 4.189432 0.007254
H -6.924899 -0.615646 0.028902


%chk=000280087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280087

0 1
O -2.282481 2.779128 1.137618
N -0.722586 -1.159236 -0.029399
N -0.751213 3.445672 -0.463448
C 0.629475 -0.697738 -0.079825
C 0.583883 0.712413 0.035317
C -1.606209 -0.074484 0.131076
C -0.803974 1.090573 0.188548
C 1.697546 -1.684974 -0.152191
C 1.344793 -3.083575 -0.215417
C -1.044478 -2.524027 -0.048860
C 1.731809 1.660787 0.010571
C -3.075014 -0.257642 0.080397
C -0.053608 -3.465131 -0.153798
C 3.081805 -1.339032 -0.147351
C -1.339764 2.479503 0.336026
C 2.368494 -4.069755 -0.299744
C 2.069284 2.424738 1.160776
C 2.485635 1.860442 -1.179938
C -3.665105 -0.997332 -0.986754
C -3.927723 0.301147 1.071014
C 4.075081 -2.329387 -0.225491
C 3.723261 -3.703820 -0.309661
C 3.133024 3.353301 1.125237
C 3.550646 2.789110 -1.216392
C -5.061283 -1.187692 -1.050590
C -5.324745 0.108072 1.003247
C 3.878781 3.539467 -0.062659
C -5.898573 -0.639678 -0.050500
H -2.102633 -2.767822 0.045928
H -0.326154 -4.524370 -0.164866
H 3.377390 -0.290570 -0.075689
H 2.080195 -5.126756 -0.349204
H 1.492600 2.282916 2.081493
H 2.233702 1.279532 -2.075111
H -3.029442 -1.395248 -1.786946
H -3.487540 0.903254 1.869070
H 5.130574 -2.035957 -0.218303
H 4.503930 -4.469347 -0.373121
H 3.380033 3.929972 2.023701
H 4.120197 2.927322 -2.142430
H -5.495198 -1.751127 -1.884412
H -5.965155 0.548225 1.775538
H 0.031255 3.235031 -1.081601
H -1.055816 4.411992 -0.348582
H 4.703924 4.259876 -0.089127
H -6.983526 -0.786172 -0.098245


