%chk=000202800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202800

0 1
O 1.241500 -2.643723 -1.819897
N -4.047784 -0.165171 -0.100527
N 0.579781 -0.525911 -2.159969
C 0.888567 -1.310562 0.212618
C -0.570912 -1.604342 0.648580
C 1.863686 -2.305870 0.952074
C -1.658886 -0.792844 -0.062933
C -3.011311 -0.941396 0.658953
C 1.358203 0.111561 0.522137
C -5.420087 -0.708157 0.174221
C -3.973158 1.295722 0.234616
C 0.936826 -1.573188 -1.313891
C -6.458533 0.046086 -0.673500
C -4.987683 2.079139 -0.614879
C -6.411582 1.553399 -0.394674
C 1.455588 -3.774985 0.818405
C 2.013684 -1.939501 2.432987
C 2.589094 0.632403 -0.033855
C 0.621267 0.916362 1.364148
C 2.941256 1.986174 0.220322
C 0.995705 2.261463 1.638715
C 3.496175 -0.148173 -0.822234
C 2.118122 2.795826 1.065918
C 4.129798 2.539061 -0.356792
C 4.634716 0.398113 -1.359088
C 4.953756 1.767292 -1.134839
H -0.641084 -1.461500 1.746342
H -0.774367 -2.684985 0.481602
H 2.866391 -2.193411 0.457752
H -1.384327 0.276427 -0.134812
H -1.777729 -1.134412 -1.113001
H -3.299895 -2.015345 0.670607
H -2.923698 -0.628148 1.720618
H -5.697762 -0.653662 1.248437
H -5.422133 -1.782483 -0.112344
H -4.147547 1.498256 1.313232
H -2.943682 1.644577 0.000084
H -6.255898 -0.139040 -1.747928
H -7.467248 -0.355565 -0.470377
H -4.928180 3.154435 -0.369988
H -4.718709 1.983803 -1.686245
H -6.739451 1.760709 0.641150
H -7.121027 2.085378 -1.054781
H 1.322303 -4.055398 -0.240953
H 0.523742 -4.004838 1.342510
H 2.230799 -4.433050 1.225144
H 2.456126 -0.945069 2.566465
H 1.052699 -1.947330 2.957287
H 2.668892 -2.653584 2.945436
H -0.281234 0.543578 1.852168
H 0.611862 -0.663237 -3.158517
H 0.384255 0.405245 -1.838270
H 0.368649 2.851449 2.305691
H 3.292037 -1.212738 -0.979464
H 2.408550 3.828777 1.249506
H 4.365275 3.584147 -0.160357
H 5.312354 -0.208552 -1.958962
H 5.857350 2.179384 -1.580849


%chk=000202800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202800

0 1
O 1.233353 -2.667562 -1.928422
N -4.178746 -0.187982 -0.108087
N 0.626858 -0.467699 -2.236546
C 0.913668 -1.260741 0.117710
C -0.584210 -1.500065 0.539295
C 1.836985 -2.316938 0.890010
C -1.690477 -0.659093 -0.145642
C -3.042303 -0.852027 0.576257
C 1.422856 0.170031 0.444992
C -5.487824 -0.729809 0.342275
C -4.141043 1.291349 0.022094
C 0.959596 -1.534313 -1.424510
C -6.650603 -0.132755 -0.475949
C -5.261806 1.956930 -0.802810
C -6.646261 1.410434 -0.387909
C 1.299790 -3.772060 0.887354
C 2.129543 -1.887334 2.350489
C 2.709609 0.654654 -0.042617
C 0.695840 1.000095 1.313218
C 3.176668 1.968771 0.371912
C 1.157874 2.288791 1.716280
C 3.570262 -0.100211 -0.915601
C 2.378207 2.770145 1.251200
C 4.442821 2.459444 -0.093052
C 4.799638 0.401137 -1.348053
C 5.246834 1.694143 -0.936435
H -0.656720 -1.380661 1.639522
H -0.805578 -2.562817 0.337135
H 2.802640 -2.334767 0.349633
H -1.420405 0.413032 -0.157791
H -1.815099 -0.968953 -1.197984
H -3.264468 -1.937070 0.615437
H -2.946130 -0.507688 1.642440
H -5.661995 -0.516337 1.432112
H -5.465488 -1.829416 0.222641
H -4.246508 1.597359 1.099446
H -3.158358 1.656185 -0.326142
H -6.536397 -0.443318 -1.532598
H -7.609799 -0.543790 -0.105961
H -5.216447 3.054603 -0.664462
H -5.086550 1.745204 -1.875367
H -6.865659 1.719882 0.655302
H -7.441750 1.839002 -1.026541
H 1.010190 -4.089992 -0.125922
H 0.441926 -3.896002 1.574402
H 2.100233 -4.447613 1.244134
H 2.707203 -0.949691 2.410595
H 1.197204 -1.749183 2.931213
H 2.714528 -2.680075 2.852514
H -0.256036 0.654016 1.723929
H 0.610214 -0.614633 -3.245739
H 0.460589 0.463071 -1.857303
H 0.545035 2.889444 2.397208
H 3.266432 -1.088843 -1.266662
H 2.747693 3.757230 1.553381
H 4.768224 3.454549 0.233684
H 5.426389 -0.203968 -2.012251
H 6.212863 2.076502 -1.283656


