%chk=000247951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247951

0 1
O 0.000561 -0.450343 -0.000109
N 7.401011 0.165130 0.906673
N -7.400125 0.164729 -0.906421
N 6.977195 -1.070169 -1.149964
N -6.975923 -1.071356 1.149664
N 1.183336 1.552710 0.002029
N -1.182468 1.552565 -0.002022
C 9.342020 -0.795749 -0.293899
C -9.340885 -0.796833 0.294009
C 8.709881 -0.528994 1.080739
C -8.708943 -0.529467 -1.080601
C 8.363194 -1.562379 -1.200484
C -8.361866 -1.563724 1.200166
C 6.575512 -0.333554 -0.158129
C -6.574439 -0.334299 0.158077
C 5.166119 0.144122 -0.115695
C -5.165099 0.143535 0.115662
C 4.112803 -0.775014 -0.238228
C -4.111678 -0.775532 0.237809
C 4.886905 1.512094 0.023457
C -4.886033 1.511579 -0.023082
C 2.514404 1.026569 -0.041934
C -2.513475 1.026272 0.041929
C 2.788248 -0.342807 -0.194353
C -2.787170 -0.343180 0.193943
C 3.568567 1.960491 0.064839
C -3.567744 1.960121 -0.064447
C 0.000482 0.764437 -0.000031
H 10.287456 -1.353697 -0.178159
H 9.607087 0.169974 -0.771074
H -9.605990 0.168673 0.771601
H -10.286278 -1.354830 0.178165
H 8.599225 -1.482387 1.642621
H 9.365740 0.137533 1.683488
H -8.598254 -1.482627 -1.642872
H -9.364947 0.137229 -1.683006
H 8.354895 -2.646738 -0.946980
H 8.687719 -1.490159 -2.264575
H -8.353491 -2.647982 0.946232
H -8.686264 -1.491956 2.264326
H 6.916963 0.338703 1.787809
H -6.916204 0.338689 -1.787552
H 4.333571 -1.836122 -0.379357
H -4.332326 -1.836707 0.378627
H 5.707838 2.229112 0.093316
H -5.707042 2.228540 -0.092629
H 1.973215 -1.070106 -0.282956
H -1.972058 -1.070428 0.282250
H 3.367325 3.022732 0.173084
H -3.366619 3.022416 -0.172370
H 1.113230 2.569758 0.053075
H -1.112480 2.569628 -0.052960


%chk=000247951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247951

0 1
O 0.000560 -0.825891 0.000014
N 7.644189 0.569764 0.532865
N -7.643169 0.569173 -0.532780
N 7.020359 -1.559824 -0.424154
N -7.019219 -1.560697 0.423532
N 1.166287 1.226765 0.028156
N -1.165385 1.226655 -0.027378
C 9.428087 -0.762385 -0.508866
C -9.427057 -0.763572 0.508204
C 9.086164 0.272657 0.584359
C -9.085099 0.271909 -0.584593
C 8.451026 -1.959257 -0.407035
C -8.449838 -1.960290 0.406083
C 6.718367 -0.360081 0.037541
C -6.717303 -0.360752 -0.037685
C 5.284625 0.068829 0.035192
C -5.283606 0.068307 -0.035030
C 4.267954 -0.919355 -0.013798
C -4.266840 -0.919792 0.013667
C 4.889027 1.431825 0.067159
C -4.888142 1.431355 -0.066458
C 2.518347 0.785476 0.028460
C -2.517400 0.785229 -0.027871
C 2.902781 -0.583500 -0.014102
C -2.901700 -0.583802 0.014172
C 3.526496 1.786198 0.063466
C -3.525648 1.785862 -0.062553
C 0.000493 0.437652 0.000219
H 10.476752 -1.093854 -0.398293
H 9.322074 -0.290264 -1.503508
H -9.321251 -0.291799 1.503033
H -10.475667 -1.095126 0.397355
H 9.372021 -0.129801 1.580075
H 9.657540 1.207404 0.428126
H -9.370764 -0.130218 -1.580497
H -9.656614 1.206528 -0.428099
H 8.654231 -2.532073 0.523655
H 8.614072 -2.659954 -1.246228
H -8.652846 -2.532805 -0.524836
H -8.612912 -2.661304 1.245006
H 7.298115 1.390548 1.027032
H -7.297124 1.390160 -1.026629
H 4.584256 -1.965807 -0.061732
H -4.583041 -1.966294 0.061186
H 5.636231 2.234113 0.048869
H -5.635430 2.233560 -0.047912
H 2.132661 -1.355368 -0.043642
H -2.131504 -1.355603 0.043464
H 3.244026 2.847681 0.075442
H -3.243282 2.847378 -0.074120
H 1.053352 2.242366 0.059839
H -1.052553 2.242279 -0.058673


