%chk=000258173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258173

0 1
O 5.378643 -0.143383 -1.390984
O -3.894663 -0.778834 -0.568311
O 5.221057 0.619553 0.706882
N 0.271597 -1.140539 0.281401
N -1.083821 1.327849 0.120804
N -1.758498 -2.287092 -0.162476
N -3.809353 1.492868 -0.431065
C 2.392589 -0.074447 0.748964
C 0.916809 0.018485 0.465902
C 0.229826 1.286178 0.388699
C 3.189674 0.029617 -0.555023
C -1.101786 -1.106327 0.008985
C -1.766642 0.168435 -0.073775
C 0.938451 2.581412 0.610706
C -3.224843 0.244236 -0.374295
C 4.650332 0.215504 -0.277513
C -1.073526 -3.590398 -0.090970
C -5.247675 1.644067 -0.722841
H 2.705548 0.718710 1.464477
H 2.626703 -1.037517 1.259467
H 3.025272 -0.876054 -1.185484
H 2.829100 0.877967 -1.181038
H 1.786856 2.704602 -0.075032
H 0.268025 3.442219 0.453671
H 1.317427 2.657354 1.640296
H -2.774828 -2.271515 -0.383239
H -1.818711 -4.401349 -0.070875
H -0.444584 -3.665602 0.816992
H -0.405816 -3.738086 -0.959936
H -3.271076 2.341785 -0.272751
H -5.722196 0.652269 -0.874468
H -5.397706 2.234840 -1.641685
H -5.763934 2.141384 0.115021
H 6.358349 -0.026892 -1.265206


%chk=000258173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258173

0 1
O 5.406246 -1.539976 -0.454653
O -3.883943 -0.961192 -0.553919
O 5.188920 0.281013 0.966140
N 0.417837 -0.729580 -0.242878
N -1.291286 1.481248 0.146865
N -1.449716 -2.115411 -0.660718
N -3.974077 1.325600 -0.050571
C 2.418812 0.641235 0.201981
C 0.914084 0.498636 0.060428
C 0.057268 1.633712 0.262384
C 3.196730 -0.620546 -0.203146
C -0.949501 -0.881692 -0.357284
C -1.812261 0.259821 -0.156573
C 0.591420 3.006391 0.602276
C -3.299299 0.152083 -0.270953
C 4.657337 -0.535976 0.179962
C -0.604429 -3.292588 -0.867303
C -5.430333 1.433756 -0.113906
H 2.764608 1.508811 -0.393739
H 2.667466 0.902884 1.250500
H 2.753221 -1.510397 0.282658
H 3.114671 -0.821535 -1.285414
H 1.217616 3.419139 -0.212367
H -0.252874 3.693414 0.770437
H 1.219441 2.991408 1.513072
H -2.483551 -2.148119 -0.728804
H -1.249841 -4.145551 -1.132932
H -0.031596 -3.546165 0.044280
H 0.126374 -3.126234 -1.679820
H -3.377192 2.132762 0.165757
H -5.834047 0.438233 -0.359408
H -5.745527 2.150022 -0.895676
H -5.850487 1.760782 0.855641
H 6.354510 -1.474687 -0.157018


