%chk=000267608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267608

0 1
O 4.430995 2.048653 1.694874
O 7.897732 1.937181 -0.839007
O 6.815447 0.488528 -2.164810
O 6.912739 -4.256752 -0.351210
O 8.540921 -3.130633 0.693383
N -1.587875 0.980017 -0.455071
N 4.842233 0.567140 0.017974
N -5.030979 0.919119 0.397052
N -4.584007 -1.890190 0.100246
N -6.937695 -2.246276 -0.046802
N -8.507899 -0.331466 0.106207
N -7.749851 1.860939 0.383917
N -9.266862 -2.540444 -0.201855
C -2.598392 1.309153 0.604377
C -0.217406 1.166499 -0.165190
C -3.807595 0.405869 0.400414
C 6.292142 0.581289 0.261175
C -2.941056 2.798844 0.639447
C 6.837605 -0.765954 0.765769
C -2.041179 1.248602 -1.846163
C 0.236630 1.183738 1.179588
C 0.744634 1.230020 -1.206211
C 2.541441 1.279559 0.425411
C 1.593409 1.244360 1.463283
C 2.100377 1.283226 -0.906428
C 6.570115 -1.938862 -0.178742
C 3.975998 1.368390 0.791357
C -3.593907 -1.029020 0.246728
C -6.085575 0.044088 0.251540
C 6.979037 0.949521 -1.059482
C -5.895602 -1.378270 0.098919
C 7.472687 -3.093911 0.131833
C -7.458908 0.529872 0.248640
C -8.203372 -1.686871 -0.041071
H -2.152549 1.020166 1.605249
H 6.524367 1.382435 1.035673
H -2.042041 3.412559 0.772726
H -3.627596 3.023855 1.466633
H -3.441890 3.131540 -0.278057
H 7.932793 -0.669003 0.952340
H 6.392748 -0.976411 1.763070
H -1.815673 2.273170 -2.184189
H -1.558253 0.530301 -2.532587
H -3.130350 1.095198 -1.933611
H -0.479904 1.147110 2.000768
H 0.436468 1.234440 -2.248580
H 4.497548 -0.078645 -0.686468
H 1.935981 1.271431 2.502158
H 2.824546 1.344828 -1.722076
H 6.725630 -1.644819 -1.248326
H 5.506587 -2.262514 -0.128409
H -2.565678 -1.426279 0.240624
H 8.384147 2.213354 -1.664414
H -8.706592 2.180873 0.392970
H -7.011610 2.537495 0.510701
H 7.483575 -5.055268 -0.190538
H -10.211581 -2.192483 -0.176764
H -9.110654 -3.534190 -0.285184


%chk=000267608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267608

0 1
O 4.475663 1.177425 1.961822
O 8.458503 1.196536 -1.181642
O 6.529431 1.115747 -2.469922
O 6.722371 -4.172060 -0.349657
O 7.494994 -3.187514 1.606025
N -1.633415 1.266602 -0.289678
N 4.938373 0.811832 -0.274795
N -5.061650 0.913914 0.427351
N -4.504279 -1.900821 0.214158
N -6.815934 -2.323168 -0.159550
N -8.432578 -0.445137 -0.170824
N -7.706782 1.768692 0.178262
N -9.097295 -2.653407 -0.515006
C -2.634394 1.397043 0.804753
C -0.257087 1.219366 -0.035808
C -3.800464 0.438247 0.548879
C 6.381588 0.790800 -0.021649
C -3.074222 2.858252 1.033353
C 6.876659 -0.533539 0.639429
C -2.120196 1.340223 -1.677911
C 0.296146 1.412157 1.273471
C 0.665635 0.975479 -1.104982
C 2.589928 1.090199 0.429606
C 1.678827 1.342712 1.489031
C 2.048956 0.910878 -0.871302
C 6.568329 -1.776174 -0.212574
C 4.045205 1.034416 0.767259
C -3.551372 -0.976535 0.441660
C -6.052600 -0.007635 0.198404
C 7.084946 1.051201 -1.347588
C -5.808522 -1.424666 0.079358
C 6.984441 -3.062145 0.472380
C -7.435305 0.435796 0.063082
C -8.065302 -1.783156 -0.272525
H -2.141592 1.032021 1.725072
H 6.636409 1.606484 0.683914
H -2.188228 3.485130 1.235022
H -3.767151 2.930064 1.889412
H -3.596963 3.257624 0.147414
H 7.961304 -0.450121 0.826168
H 6.377937 -0.609142 1.620061
H -1.603600 2.141936 -2.239682
H -1.977622 0.385912 -2.222989
H -3.198229 1.565003 -1.674436
H -0.347793 1.640544 2.127544
H 0.297498 0.814537 -2.121509
H 4.645442 0.812222 -1.254767
H 2.095734 1.492370 2.490674
H 2.694371 0.703196 -1.733730
H 7.072447 -1.745257 -1.198647
H 5.484596 -1.841416 -0.429499
H -2.524713 -1.349454 0.543591
H 8.888544 1.359030 -2.064647
H -8.664455 2.100674 0.091331
H -6.929337 2.403136 0.361362
H 6.997524 -5.001626 0.127652
H -10.043659 -2.293376 -0.602776
H -8.891059 -3.645945 -0.595604


