%chk=000250371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250371

0 1
O 3.224112 -3.267632 -0.330891
O -3.223197 -3.268290 0.341353
N 1.393107 -2.103477 0.341834
N -1.392851 -2.105953 -0.336281
N 3.680678 -0.060455 0.642064
N -3.681643 -0.065835 -0.646355
N 4.825876 0.339068 -1.937877
N -4.828125 0.344451 1.931326
C 0.599168 -3.355148 0.490363
C 0.598495 -0.862833 0.490255
C -0.598073 -3.357763 -0.479083
C -0.599080 -0.865452 -0.490329
C 2.700982 -2.183672 -0.118924
C -2.700779 -2.184944 0.124526
C 3.482490 -0.910680 -0.356648
C -3.483253 -0.911436 0.356235
C 4.071495 -0.715941 -1.669326
C -4.072908 -0.711224 1.667799
C 4.483057 1.047124 0.385949
C -4.484889 1.042326 -0.395518
C 5.053723 1.250903 -0.909730
C -5.056202 1.251513 0.899013
C 4.740449 1.991830 1.429559
C -4.742530 1.982163 -1.443451
C 5.869835 2.401104 -1.147675
C -5.873201 2.402200 1.131486
C 5.529371 3.083600 1.168385
C -5.532311 3.074546 -1.187478
C 6.095732 3.289575 -0.126441
C -6.099317 3.285929 0.106191
H 0.254240 -3.431501 1.546270
H 1.253419 -4.241246 0.296235
H 1.218854 0.043218 0.323034
H 0.238360 -0.802298 1.544613
H -0.253085 -3.438720 -1.534628
H -1.251732 -4.243403 -0.280901
H -1.220044 0.040927 -0.327186
H -0.238994 -0.809434 -1.544950
H 3.905186 -1.459559 -2.461681
H -3.906391 -1.451174 2.463538
H 4.302601 1.812456 2.413411
H -4.304177 1.798687 -2.426321
H 6.296709 2.537725 -2.143636
H -6.300557 2.542991 2.126659
H 5.740641 3.815044 1.949880
H -5.743784 3.802331 -1.972328
H 6.717524 4.171914 -0.286767
H -6.721781 4.168546 0.262324


%chk=000250371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250371

0 1
O 3.219203 -3.286582 -0.588944
O -3.217118 -3.287350 0.606216
N 1.420957 -2.033094 0.197685
N -1.423324 -2.038609 -0.197597
N 3.486654 0.154076 0.309864
N -3.489845 0.147961 -0.316427
N 5.527818 -0.072916 -1.713074
N -5.526539 -0.068673 1.712004
C 0.641026 -3.272610 0.435331
C 0.643383 -0.794759 0.420208
C -0.640740 -3.278925 -0.422308
C -0.648418 -0.801585 -0.435675
C 2.711782 -2.150436 -0.291121
C -2.712374 -2.153142 0.296624
C 3.589062 -0.931694 -0.486528
C -3.590378 -0.933787 0.485650
C 4.620481 -1.038857 -1.495631
C -4.619774 -1.035785 1.497430
C 4.425591 1.163200 0.126024
C -4.428174 1.158175 -0.135537
C 5.450555 1.051747 -0.892495
C -5.450800 1.052012 0.885884
C 4.378755 2.326278 0.954505
C -4.382781 2.317312 -0.969616
C 6.397850 2.106144 -1.057147
C -6.397173 2.107648 1.047876
C 5.318749 3.345230 0.773547
C -5.321777 3.337617 -0.791117
C 6.330592 3.235426 -0.235048
C -6.331261 3.233075 0.220407
H 0.371376 -3.325996 1.508114
H 1.281934 -4.131030 0.179409
H 1.260040 0.082248 0.184056
H 0.371803 -0.733589 1.493280
H -0.371272 -3.343164 -1.494524
H -1.279528 -4.136063 -0.156978
H -1.267144 0.076968 -0.210955
H -0.376773 -0.753889 -1.509418
H 4.678139 -1.945859 -2.103258
H -4.676174 -1.939768 2.109634
H 3.600153 2.384849 1.721545
H -3.605964 2.371970 -1.738752
H 7.161921 1.994113 -1.832483
H -7.159408 1.999653 1.825586
H 5.286751 4.237562 1.407844
H -5.290767 4.227014 -1.429574
H 7.057283 4.045663 -0.357398
H -7.057153 4.044323 0.340778


