%chk=000183471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183471

0 1
O -1.563150 3.847273 0.082508
O -2.956714 -3.722329 -0.750077
O -0.482054 -3.058854 -1.568095
O 3.482917 -1.606745 1.096024
O 5.267946 0.226476 -0.338785
N -2.106367 2.706712 -0.241834
C -1.014157 1.598042 -0.317671
C -3.141169 2.329030 0.828103
C -1.617746 0.217423 -0.411875
C -3.834204 0.999399 0.547698
C -0.081948 1.726475 0.905406
C -2.916841 -0.069246 0.021615
C -2.778858 2.827656 -1.605625
C -0.806352 -0.806350 -0.942407
C 1.319804 1.297628 0.578934
C -3.423708 -1.385283 -0.062813
C -1.302666 -2.100682 -1.031877
C -2.625198 -2.391929 -0.583256
C 1.795946 0.050898 1.006416
C 2.162080 2.161080 -0.142845
C 3.108650 -0.329106 0.702443
C 3.463809 1.777995 -0.465892
C 3.939307 0.527783 -0.051841
C -4.233765 -4.161461 -0.227502
C 4.664335 -1.652963 1.942984
C 5.419968 -0.885016 -1.265142
H -0.417562 1.820966 -1.244439
H -3.871996 3.162102 0.908882
H -2.610349 2.311580 1.806286
H -4.665397 1.146775 -0.177116
H -4.322825 0.651257 1.484508
H -0.485722 1.159561 1.765579
H -0.076255 2.805468 1.228070
H -3.122529 1.861137 -1.991579
H -3.626984 3.526120 -1.543713
H -2.066545 3.276550 -2.318968
H 0.215771 -0.602486 -1.271004
H -4.433287 -1.594183 0.279327
H 1.164598 -0.634936 1.569754
H 1.792207 3.140288 -0.452317
H 4.121963 2.436118 -1.032132
H -0.918421 -3.955865 -1.542926
H -5.049414 -3.661469 -0.757826
H -4.281031 -3.992324 0.852232
H -4.211803 -5.234733 -0.459024
H 4.414861 -1.235377 2.922164
H 5.499650 -1.111989 1.482724
H 4.862454 -2.727820 2.005065
H 4.904934 -1.774745 -0.885553
H 6.505634 -1.023183 -1.286680
H 5.036285 -0.593420 -2.246308


%chk=000183471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183471

0 1
O -1.395796 3.848014 0.193710
O -3.283874 -3.814527 -0.796276
O -0.790917 -3.306827 -1.638588
O 3.884436 -1.493525 1.192852
O 5.421800 0.395396 -0.437639
N -2.046837 2.638275 -0.197797
C -1.019642 1.447068 -0.279768
C -3.109942 2.292861 0.848717
C -1.716426 0.101964 -0.442779
C -3.916919 1.032388 0.497602
C -0.079779 1.525947 0.958428
C -3.048611 -0.116506 -0.003697
C -2.664516 2.855227 -1.566907
C -0.969461 -0.973160 -0.993453
C 1.364557 1.204706 0.616127
C -3.612353 -1.417010 -0.104511
C -1.530270 -2.253452 -1.093884
C -2.862553 -2.476984 -0.638005
C 1.985556 0.009937 1.053317
C 2.130113 2.128283 -0.146550
C 3.330791 -0.273079 0.732307
C 3.466096 1.840326 -0.493298
C 4.071886 0.634588 -0.076068
C -4.633544 -4.159303 -0.348660
C 5.037047 -1.337407 2.109931
C 5.619279 -0.786336 -1.308712
H -0.425803 1.691048 -1.179128
H -3.736359 3.195246 0.932966
H -2.547782 2.181866 1.789308
H -4.677917 1.280446 -0.270640
H -4.484657 0.723270 1.396955
H -0.447906 0.857124 1.756369
H -0.165653 2.588409 1.280563
H -3.065752 1.920422 -1.994979
H -3.452772 3.614820 -1.456459
H -1.862335 3.261261 -2.199582
H 0.059721 -0.825273 -1.334524
H -4.642055 -1.578788 0.233201
H 1.437784 -0.721140 1.658513
H 1.669101 3.073670 -0.457451
H 4.064669 2.537253 -1.089287
H -1.348495 -4.129350 -1.611075
H -5.395627 -3.587811 -0.912656
H -4.750409 -3.970021 0.735654
H -4.746445 -5.233715 -0.553969
H 4.715540 -0.832828 3.041093
H 5.848041 -0.757932 1.633007
H 5.372809 -2.361293 2.335518
H 5.240104 -1.704187 -0.823783
H 6.706236 -0.854382 -1.469825
H 5.103940 -0.635681 -2.276589


