%chk=000280958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280958

0 1
O 3.885787 0.154868 -0.671690
O -1.613697 2.275243 0.225816
O 3.367027 -0.332937 1.482205
O -4.363076 -1.117661 -1.060907
N -2.732777 0.369566 0.749484
C 0.538060 -0.250517 -0.238629
C -0.238719 0.434680 0.947307
C 1.730701 0.754989 -0.000923
C 0.937092 1.421212 1.146008
C -0.094984 -0.072623 -1.608842
C 0.872910 -1.708785 0.031242
C -1.541846 1.105839 0.575373
C 3.022775 0.132180 0.424795
C -2.773612 -1.112837 0.799337
C -3.996887 0.950079 0.215569
C -3.126046 -1.680325 -0.587319
C -4.344294 0.324891 -1.144139
C 5.183243 -0.376877 -0.523869
C 5.944304 -0.345554 -1.612219
H -0.373928 -0.235769 1.819783
H 1.901259 1.427553 -0.870537
H 0.673927 2.474489 0.951231
H 1.412312 1.361956 2.134330
H -0.362598 0.975450 -1.809705
H 0.587702 -0.387021 -2.408417
H -1.018154 -0.668221 -1.712274
H 1.334064 -1.856631 1.018991
H -0.017126 -2.345624 -0.011453
H 1.581643 -2.100183 -0.711524
H -3.558168 -1.405570 1.537470
H -1.814683 -1.529806 1.170522
H -3.890123 2.058093 0.125069
H -4.803693 0.754184 0.956128
H -2.323389 -1.475338 -1.329365
H -3.353616 -2.760419 -0.558443
H -5.379736 0.549740 -1.457673
H -3.635788 0.628664 -1.934019
H 5.412014 -0.749860 0.468642
H 6.957747 -0.717139 -1.629596
H 5.610175 0.056121 -2.559063


%chk=000280958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280958

0 1
O 4.035233 -0.009858 -0.437913
O -1.821718 2.351757 0.081096
O 2.925248 -0.272491 1.611489
O -4.689560 -1.586941 -0.277437
N -2.639498 0.241549 0.594142
C 0.628103 0.137793 -0.720188
C -0.159014 0.639929 0.580180
C 1.879414 1.018447 -0.218684
C 0.918536 1.747647 0.776010
C 0.075450 0.726405 -2.032601
C 0.844737 -1.379213 -0.842749
C -1.589999 1.140136 0.406702
C 2.948932 0.205958 0.455629
C -2.533850 -1.199086 0.903823
C -4.037791 0.705070 0.437533
C -3.289830 -2.018845 -0.166596
C -4.756323 -0.152044 -0.620323
C 5.125884 -0.802085 0.012993
C 6.170884 -1.032748 -0.809359
H -0.077515 -0.117354 1.378481
H 2.329828 1.626499 -1.018112
H 0.561068 2.712662 0.383675
H 1.294642 1.868532 1.802775
H -0.097842 1.813337 -1.952845
H 0.783412 0.538734 -2.861030
H -0.890957 0.254486 -2.294238
H 1.204669 -1.824150 0.102814
H -0.098308 -1.884976 -1.125975
H 1.588086 -1.603877 -1.630634
H -2.991164 -1.393568 1.895400
H -1.480834 -1.515650 0.938018
H -4.008630 1.767683 0.144301
H -4.560899 0.609260 1.409918
H -2.779269 -1.908514 -1.149762
H -3.330727 -3.085402 0.109900
H -5.831328 0.086605 -0.663285
H -4.297939 0.015922 -1.618814
H 5.027037 -1.175430 1.038364
H 7.009627 -1.640180 -0.459948
H 6.208009 -0.625900 -1.824054


