%chk=000227614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227614

0 1
O -0.508399 0.559687 -0.447656
O -0.598135 -1.215913 1.936975
O -2.135516 -2.476693 -1.018568
O -2.941557 0.188370 1.349943
O -2.304383 2.641525 -2.006467
N 1.544181 -0.533113 -0.080604
C 0.128941 -0.745536 -0.431990
C -0.586620 -1.683938 0.578094
C -2.091709 -1.778038 0.235027
C -2.741621 -0.381845 0.061733
C -1.899292 0.544487 -0.845079
C 2.392554 -0.297731 -1.299499
C 1.755133 0.552295 0.936731
C 3.876112 -0.288100 -0.896648
C 3.227324 0.568986 1.374128
C 4.153943 0.778123 0.169950
C -2.317508 2.017730 -0.718960
H 0.019718 -1.200657 -1.452167
H -0.104703 -2.688947 0.565830
H -2.626987 -2.349664 1.026770
H -3.777378 -0.471485 -0.342140
H -1.954115 0.193409 -1.902120
H 2.128675 0.651297 -1.814736
H 2.208069 -1.126235 -2.017142
H 1.095807 0.340948 1.813687
H 1.450223 1.550142 0.550661
H 4.500849 -0.113024 -1.791627
H 4.159306 -1.286970 -0.507467
H 3.479909 -0.386785 1.875296
H 3.381761 1.366311 2.124240
H 5.211417 0.730811 0.489894
H 4.005980 1.789774 -0.253727
H -1.650343 2.560468 -0.023474
H -3.368480 2.129325 -0.387340
H 0.312634 -0.904522 2.193488
H -2.972548 -2.975945 -1.104058
H -2.076084 0.182840 1.855719
H -1.383758 2.721611 -2.333097


%chk=000227614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227614

0 1
O -0.746221 0.786429 -0.164764
O -0.233987 -1.588102 1.448331
O -2.073814 -2.125026 -1.703188
O -2.765079 -0.509902 1.633618
O -2.235630 3.084268 -0.795643
N 1.438106 -0.115452 -0.029284
C 0.081940 -0.333737 -0.612140
C -0.457117 -1.666395 -0.003551
C -1.961813 -1.870607 -0.255140
C -2.768220 -0.617126 0.176616
C -2.184777 0.630311 -0.520486
C 2.464353 -0.971736 -0.703876
C 1.881087 1.313533 0.018708
C 3.810560 -0.906374 0.043524
C 3.207699 1.434677 0.793447
C 4.308062 0.551461 0.163933
C -2.834016 1.945789 -0.088600
H 0.076310 -0.381791 -1.727617
H 0.083724 -2.529907 -0.436794
H -2.305951 -2.739229 0.340734
H -3.830592 -0.726996 -0.116980
H -2.261098 0.504290 -1.621621
H 2.606691 -0.639086 -1.761377
H 2.102976 -2.014575 -0.731656
H 1.089509 1.898872 0.507982
H 2.015038 1.713631 -1.016272
H 4.550850 -1.530616 -0.492393
H 3.680904 -1.340125 1.054055
H 3.037883 1.126507 1.843710
H 3.518450 2.496706 0.806737
H 5.234568 0.594793 0.766306
H 4.559885 0.939635 -0.844668
H -2.745734 2.052094 1.010073
H -3.901633 1.949718 -0.365578
H 0.605515 -1.015302 1.498992
H -2.969513 -2.494847 -1.900926
H -1.832395 -0.745178 1.930707
H -1.253119 3.002395 -0.681318


