%chk=000267062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267062

0 1
O 1.771908 -4.408373 1.919253
O -1.738607 -4.429174 -1.912019
N 0.192553 -2.748223 1.537051
N -0.172627 -2.754893 -1.536455
N 2.016401 1.054233 0.099552
N -2.026905 1.037878 -0.111919
N 1.132863 -1.753225 1.537770
N -1.121000 -1.767546 -1.540420
C 0.023085 -5.934856 0.005833
C -0.431992 -5.096981 1.209407
C 0.471059 -5.097333 -1.200639
C 0.649138 -4.105817 1.600594
C -0.618209 -4.116330 -1.594902
C 3.763467 2.479612 1.084464
C -3.785635 2.445487 -1.101605
C 2.984419 2.046721 -0.026506
C -3.002879 2.022961 0.010751
C 1.826319 0.510506 1.304103
C -1.832692 0.491325 -1.314536
C 3.531090 1.860268 2.352942
C -3.548550 1.823408 -2.367862
C 4.740279 3.503428 0.887045
C -4.770642 3.462107 -0.907685
C 2.574386 0.885735 2.471212
C -2.584033 0.856195 -2.482812
C 3.190810 2.639996 -1.315595
C -3.213773 2.619275 1.297716
C 4.920563 4.056922 -0.355899
C -4.955115 4.018673 0.333264
C 4.137624 3.620214 -1.466665
C -4.168427 3.592365 1.445431
C 0.754056 -0.516635 1.396877
C -0.752186 -0.527468 -1.403809
H -0.811603 -6.603235 -0.297068
H 0.863377 -6.595124 0.311034
H -1.410014 -4.621213 0.988776
H -0.624784 -5.766572 2.076662
H 0.669094 -5.768225 -2.065703
H 1.445206 -4.612857 -0.981850
H 4.126090 2.173832 3.211407
H -4.146259 2.128998 -3.227322
H -0.802479 -2.541313 1.364767
H 0.820634 -2.539314 -1.364460
H 5.334164 3.831046 1.739513
H -5.367343 3.781784 -1.761202
H 2.375066 0.377736 3.413126
H -2.380857 0.346356 -3.422906
H 2.580063 2.292143 -2.149152
H -2.600048 2.279414 2.132381
H 5.662727 4.837621 -0.516989
H -5.703521 4.793938 0.491692
H 4.308623 4.083463 -2.438471
H -4.342951 4.057785 2.415573
H -0.270861 -0.111657 1.294398
H 0.269431 -0.113859 -1.302743


%chk=000267062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267062

0 1
O 1.915586 -4.419761 -0.028717
O -2.669873 -5.078507 -0.988980
N 0.716440 -3.056421 1.453976
N -0.876242 -3.641839 -1.503577
N 1.270449 1.557550 2.061025
N -0.875902 1.037466 -1.466108
N 1.409801 -1.908732 1.110759
N -1.622920 -2.482691 -1.420586
C -0.094958 -6.530499 0.202442
C 0.060371 -5.413991 1.266217
C -0.412093 -6.030552 -1.241065
C 0.999516 -4.283698 0.828472
C -1.450145 -4.905552 -1.245522
C 2.875098 2.953231 0.772513
C -2.915095 2.438515 -1.210319
C 1.831584 2.790664 1.767072
C -1.479949 2.280519 -1.350844
C 1.724296 0.475320 1.380962
C -1.670780 -0.062375 -1.431492
C 3.329164 1.775382 0.087163
C -3.714906 1.245146 -1.185291
C 3.402397 4.258602 0.520890
C -3.464901 3.753897 -1.099808
C 2.761524 0.542402 0.382908
C -3.104736 0.000729 -1.290429
C 1.355209 3.940796 2.474592
C -0.646789 3.444901 -1.366350
C 2.918408 5.365650 1.225720
C -2.628627 4.874839 -1.120572
C 1.889066 5.204461 2.207972
C -1.211728 4.717844 -1.252104
C 1.070080 -0.793585 1.722910
C -0.965630 -1.345537 -1.535293
H -0.906456 -7.199007 0.542555
H 0.833064 -7.127342 0.153727
H -0.935879 -4.997748 1.514452
H 0.458690 -5.863574 2.197869
H -0.826748 -6.871745 -1.823481
H 0.526734 -5.707015 -1.722605
H 4.119330 1.862920 -0.667653
H -4.803148 1.328964 -1.081825
H -0.063029 -3.012999 2.129092
H 0.146299 -3.593168 -1.645864
H 4.193146 4.379549 -0.229595
H -4.550537 3.871988 -0.996708
H 3.069512 -0.380744 -0.114626
H -3.668547 -0.935734 -1.272383
H 0.565800 3.790138 3.217219
H 0.433275 3.297686 -1.464272
H 3.327766 6.363079 1.031016
H -3.055013 5.880303 -1.033865
H 1.520678 6.081124 2.751913
H -0.567859 5.604122 -1.258300
H 0.282223 -0.721882 2.496556
H 0.127488 -1.271884 -1.686356


