%chk=000206877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206877

0 1
O 4.704235 1.866050 0.789035
O -2.115808 -1.776010 -1.646408
O 2.428562 -2.511396 -1.159619
N -0.648831 0.583437 0.413192
N -2.564190 -1.824688 0.608895
N -3.769698 1.013332 -0.335967
C -4.942486 -1.048073 0.481259
C -3.975556 -2.243666 0.429461
C -4.743974 -0.076130 -0.695022
C 1.563240 0.066092 0.070122
C -0.579656 -0.668695 -0.187739
C 0.665989 1.069845 0.571047
C 0.756847 -1.024183 -0.410745
C -1.819220 -1.442591 -0.512741
C 2.954053 0.277359 0.117994
C 1.136641 2.285574 1.115290
C 3.389571 1.475727 0.656414
C 2.498085 2.483421 1.155816
C -3.193709 1.602225 -1.585320
C -4.438265 2.077865 0.473150
C 1.246312 -2.253646 -1.037675
C 5.723154 0.947773 0.319935
H -5.982075 -1.430964 0.464920
H -4.837525 -0.514194 1.446113
H -5.727793 0.325957 -1.017132
H -4.337849 -0.639081 -1.570876
H -4.070791 -2.782338 -0.544939
H -4.220363 -2.977538 1.229184
H -1.503484 1.090072 0.602136
H -2.354675 -1.400741 1.511454
H 3.613538 -0.500581 -0.266243
H 0.441959 3.033419 1.487798
H 2.934934 3.394944 1.560672
H -3.933667 2.018618 -2.284457
H -2.624949 0.817333 -2.119242
H -2.484924 2.403767 -1.329372
H -5.258885 2.600072 -0.042130
H -3.693152 2.831464 0.770431
H -4.845118 1.632675 1.394862
H 0.467037 -2.943852 -1.405277
H 5.678296 0.011473 0.884565
H 5.612733 0.776258 -0.755240
H 6.644053 1.501116 0.541097


%chk=000206877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206877

0 1
O 4.363220 2.191179 0.535152
O -1.773593 -2.987781 -1.290092
O 2.771797 -2.776453 -0.774404
N -0.804871 0.084405 0.283637
N -2.758418 -1.870554 0.523034
N -3.417460 1.162178 -0.196706
C -5.005215 -0.863319 0.207274
C -4.160448 -2.164586 0.217219
C -4.482025 0.241861 -0.743590
C 1.472209 -0.141589 0.061468
C -0.546727 -1.225557 -0.124741
C 0.414297 0.773246 0.390687
C 0.848966 -1.412271 -0.277762
C -1.707793 -2.127774 -0.356773
C 2.826093 0.281088 0.100301
C 0.680329 2.116219 0.745443
C 3.080568 1.621460 0.457667
C 2.020950 2.529918 0.776253
C -2.934133 2.047214 -1.302138
C -3.918623 1.993466 0.934279
C 1.509821 -2.650226 -0.672884
C 5.498403 1.321595 0.214028
H -6.030679 -1.133196 -0.112254
H -5.107929 -0.474059 1.239158
H -5.345490 0.865217 -1.079919
H -4.059126 -0.236405 -1.647395
H -4.172885 -2.656541 -0.771823
H -4.587760 -2.881135 0.946015
H -1.785146 0.499632 0.229868
H -2.567302 -1.258820 1.319192
H 3.611918 -0.434698 -0.149661
H -0.121996 2.816597 1.002996
H 2.292030 3.554694 1.047460
H -3.751141 2.673620 -1.726097
H -2.507837 1.429257 -2.110499
H -2.140290 2.717055 -0.927537
H -4.785013 2.628987 0.638370
H -3.108971 2.655962 1.288327
H -4.228607 1.357395 1.779308
H 0.832229 -3.505205 -0.897657
H 5.555330 0.462440 0.909936
H 5.434513 0.946836 -0.825725
H 6.389402 1.956145 0.329284


