%chk=000268136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268136

0 1
O 1.890081 -3.681367 -0.746611
N -1.038370 1.488991 0.532579
N -4.630008 0.813048 -0.388316
C 0.290260 0.966117 0.068438
C -2.176482 0.899937 -0.238410
C 1.410115 1.815847 0.722560
C -3.494359 1.363445 0.419481
C 0.444268 -0.491342 0.482859
C 2.722528 1.625397 0.014310
C -4.910172 -0.617243 -0.031663
C -5.842001 1.679333 -0.310415
C 1.097708 -1.371389 -0.395831
C -0.024249 -0.948282 1.719155
C -5.720355 -1.288569 -1.141682
C -6.458975 1.862936 1.079353
C 3.596943 0.600072 0.407146
C 3.081027 2.471497 -1.046494
C 1.265535 -2.702401 -0.002353
C 0.150553 -2.289253 2.086704
C 0.795415 -3.182540 1.237443
C 4.817364 0.428991 -0.250491
C 4.303327 2.295938 -1.701058
C 5.174163 1.276315 -1.304726
C 2.437427 -3.307214 -2.033312
H 0.390255 1.044039 -1.048966
H -2.172634 1.173208 -1.315441
H -2.102557 -0.210693 -0.195978
H 1.497159 1.547941 1.797468
H 1.126923 2.887925 0.724224
H -3.544558 2.472958 0.419880
H -3.515356 1.051455 1.485755
H -1.055310 2.511369 0.442868
H -3.934456 -1.144299 0.077037
H -5.436098 -0.721952 0.941998
H -6.600451 1.249366 -1.003113
H -5.566111 2.670478 -0.735124
H 1.472430 -1.012194 -1.347941
H -0.538015 -0.257076 2.387563
H -5.271240 -1.096507 -2.125501
H -6.750461 -0.918314 -1.179226
H -5.758495 -2.373001 -0.996729
H -7.355756 2.489705 1.030342
H -5.763549 2.341474 1.776677
H -6.755080 0.903953 1.519780
H 3.317052 -0.069716 1.220360
H 2.409810 3.267526 -1.360500
H -0.222163 -2.635732 3.050697
H 0.944035 -4.225171 1.502143
H 5.492808 -0.366217 0.061031
H 4.578110 2.957162 -2.520976
H 6.126539 1.143913 -1.812703
H 1.637824 -2.982016 -2.704816
H 3.205244 -2.537282 -1.911594
H 2.877758 -4.252868 -2.374181


%chk=000268136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268136

0 1
O 2.190067 -3.609164 -0.939754
N -1.081091 1.454056 0.377160
N -4.768632 0.803812 -0.295928
C 0.238622 0.960782 -0.075385
C -2.257678 0.891205 -0.320786
C 1.340561 1.864655 0.578858
C -3.560872 1.351088 0.369582
C 0.439804 -0.511346 0.303802
C 2.738550 1.602246 0.044907
C -5.050948 -0.601960 0.093971
C -5.941250 1.713383 -0.257036
C 1.185740 -1.358730 -0.551109
C -0.059179 -1.014146 1.528337
C -6.049902 -1.306683 -0.842849
C -6.574257 1.969739 1.139983
C 3.639927 0.751188 0.733666
C 3.161752 2.185330 -1.178420
C 1.442655 -2.698479 -0.172350
C 0.189418 -2.359017 1.890907
C 0.939287 -3.206266 1.051070
C 4.928587 0.488298 0.215705
C 4.448299 1.925258 -1.702032
C 5.337861 1.073671 -1.005166
C 2.784778 -3.113547 -2.183253
H 0.358610 1.047054 -1.185619
H -2.309915 1.170507 -1.399629
H -2.178119 -0.210230 -0.278258
H 1.295438 1.710667 1.672151
H 1.062737 2.921026 0.380386
H -3.614891 2.458024 0.321666
H -3.497688 1.081354 1.451336
H -1.107774 2.482884 0.396150
H -4.092134 -1.151135 0.057859
H -5.412740 -0.679137 1.151192
H -6.714644 1.311102 -0.937167
H -5.622042 2.680145 -0.692561
H 1.569985 -0.955854 -1.494186
H -0.648203 -0.348168 2.167781
H -5.712907 -1.220744 -1.891098
H -7.066423 -0.879397 -0.770225
H -6.122070 -2.378950 -0.583179
H -7.413624 2.684871 1.052731
H -5.835681 2.396790 1.843128
H -6.970353 1.038734 1.584608
H 3.324915 0.286418 1.675361
H 2.480412 2.855488 -1.718817
H -0.202026 -2.751966 2.836431
H 1.146432 -4.247744 1.315830
H 5.611386 -0.171090 0.763657
H 4.759610 2.389961 -2.644799
H 6.338808 0.874801 -1.404897
H 2.006374 -2.802753 -2.907661
H 3.470540 -2.265119 -1.991252
H 3.349290 -3.965212 -2.591099


