%chk=000200422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200422

0 1
O 2.316280 -2.323989 0.356994
N 1.267044 2.706016 0.210468
N -0.976433 -1.263814 0.931442
C -0.544185 1.046982 0.357969
C 0.146518 -0.357692 0.501098
C 0.192577 2.032042 -0.607011
C 0.720074 -0.852233 -0.847534
C 1.687333 0.207433 -1.407959
C 0.793287 1.381492 -1.857621
C -0.474439 1.805020 1.707144
C -1.960207 0.646474 0.010737
C 1.307320 -2.260215 -0.676477
C 0.825294 2.628195 1.647737
C 2.674238 0.660647 -0.351161
C 2.633247 2.137782 -0.019481
C -2.157903 -0.743017 0.330150
C -0.636386 -2.704811 0.966808
C 0.202943 -3.228924 -0.215775
C -3.006453 1.395681 -0.484005
C 3.506846 -0.179821 0.276502
C 3.562395 -1.661147 0.047647
C -3.392770 -1.354112 0.138633
C -4.258694 0.775657 -0.682530
C -4.442386 -0.568738 -0.371527
H 0.937997 -0.369886 1.286692
H -0.519219 2.843279 -0.904578
H -0.127703 -0.951117 -1.579140
H 2.249112 -0.202101 -2.279438
H 1.370483 2.124610 -2.438781
H -0.009986 1.031737 -2.531910
H -0.495170 1.113567 2.565586
H -1.356290 2.458888 1.825726
H 1.769489 -2.615249 -1.625187
H 0.655134 3.673761 1.980203
H 1.600888 2.198896 2.309444
H 3.279663 2.377492 0.851869
H 3.063456 2.711637 -0.876766
H -1.565362 -3.304107 1.067928
H -0.047487 -2.846923 1.907660
H 0.672482 -4.188086 0.084091
H -0.453097 -3.455611 -1.077259
H -2.879311 2.449872 -0.720922
H 4.200072 0.179900 1.036479
H 3.874286 -1.906778 -0.984230
H 4.243273 -2.161130 0.766020
H -3.553046 -2.398048 0.381122
H -5.083738 1.361139 -1.078445
H -5.417165 -1.030950 -0.525211


%chk=000200422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200422

0 1
O 2.350402 -2.325528 0.446644
N 1.280857 2.634190 0.287109
N -0.998021 -1.251239 0.879716
C -0.585081 1.058044 0.349936
C 0.113295 -0.334042 0.502805
C 0.191732 2.047177 -0.583349
C 0.746737 -0.841095 -0.819426
C 1.704365 0.230242 -1.409536
C 0.803175 1.412678 -1.847480
C -0.525154 1.845653 1.697027
C -2.000439 0.633840 -0.038243
C 1.315321 -2.263598 -0.606712
C 0.921194 2.398955 1.723203
C 2.748423 0.720212 -0.392284
C 2.669002 2.215073 -0.089895
C -2.187498 -0.739551 0.328085
C -0.632880 -2.668465 1.030319
C 0.175649 -3.216032 -0.183970
C -3.065205 1.375000 -0.568357
C 3.587517 -0.126921 0.267088
C 3.609589 -1.634205 0.069378
C -3.441597 -1.368263 0.155952
C -4.329360 0.749253 -0.756074
C -4.504729 -0.606026 -0.391367
H 0.884027 -0.339822 1.292146
H -0.508717 2.855302 -0.878250
H -0.078530 -0.958394 -1.554808
H 2.222166 -0.204854 -2.291577
H 1.368186 2.178774 -2.409781
H -0.004159 1.053476 -2.511967
H -0.754564 1.202403 2.563464
H -1.265023 2.666807 1.672822
H 1.771071 -2.623702 -1.559860
H 0.994980 3.334694 2.308598
H 1.608642 1.658216 2.189619
H 3.345970 2.489274 0.738517
H 2.990702 2.804934 -0.970941
H -1.546127 -3.269078 1.185003
H -0.011679 -2.767652 1.940039
H 0.603135 -4.202934 0.072769
H -0.499331 -3.351563 -1.050911
H -2.930625 2.429385 -0.839636
H 4.283039 0.285252 1.011703
H 3.845606 -1.890536 -0.989457
H 4.376186 -2.093796 0.714858
H -3.600261 -2.415599 0.435083
H -5.165543 1.315685 -1.179496
H -5.482144 -1.081923 -0.535305


