%chk=000197999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197999

0 1
O -0.045826 -1.184608 -0.644656
O -0.480615 -0.738104 1.571596
N 3.344529 0.205904 -0.060399
C 1.260418 -1.071666 -0.021871
C 1.976930 0.132023 -0.661777
C 4.330948 -0.578638 -0.875769
C 3.785979 1.631650 0.097676
C -1.059071 -0.672719 0.249741
C 5.703825 -0.566188 -0.183281
C 5.152458 1.676870 0.801917
C 6.201209 0.869171 0.027533
C 0.958327 -0.893777 1.475926
C -2.260946 -1.590154 0.195105
C -1.390442 0.767014 -0.102228
C -2.560765 -2.282160 -0.985216
C -1.666256 1.690559 0.913081
C -3.075027 -1.733059 1.326302
C -1.435063 1.161000 -1.445648
C -3.685521 -3.110317 -1.035055
C -1.990457 3.009497 0.582620
C -4.198167 -2.562762 1.270048
C -1.759258 2.480566 -1.771561
C -4.505248 -3.248595 0.090020
C -2.038467 3.404326 -0.758376
H 1.754813 -2.034762 -0.261584
H 1.392667 1.056406 -0.454497
H 1.967353 0.020700 -1.766749
H 4.428390 -0.195995 -1.914718
H 3.959897 -1.623583 -0.947962
H 3.029391 2.154249 0.722907
H 3.841323 2.173160 -0.870912
H 6.428806 -1.144026 -0.784310
H 5.626521 -1.080383 0.795783
H 5.050784 1.267259 1.827074
H 5.477041 2.726969 0.914965
H 7.160256 0.863414 0.577610
H 6.408726 1.348501 -0.947683
H 1.194528 -1.780538 2.084893
H 1.406316 0.010620 1.919853
H -1.907487 -2.179248 -1.852605
H -1.618587 1.372500 1.956311
H -2.819271 -1.204645 2.245746
H -1.211660 0.434039 -2.227386
H -3.921615 -3.649097 -1.950496
H -2.207534 3.728221 1.370444
H -4.832860 -2.675726 2.146768
H -1.797804 2.788356 -2.814575
H -5.381660 -3.892584 0.048149
H -2.294732 4.430758 -1.014253


%chk=000197999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197999

0 1
O -0.065792 -0.998503 -0.720650
O -0.484534 -0.780838 1.583134
N 3.475109 0.267303 -0.194984
C 1.258185 -0.861916 -0.041832
C 2.152356 0.096345 -0.846564
C 4.396073 -0.870661 -0.462245
C 4.113211 1.566985 -0.539434
C -1.118131 -0.629694 0.266391
C 5.700505 -0.733951 0.349525
C 5.407417 1.780102 0.271465
C 6.394294 0.612472 0.044797
C 0.915283 -0.346080 1.377919
C -2.275485 -1.615851 0.155820
C -1.554601 0.831941 0.041058
C -2.748456 -1.997340 -1.122721
C -2.118425 1.565307 1.114074
C -2.895929 -2.132722 1.317018
C -1.439514 1.438311 -1.232466
C -3.833445 -2.892886 -1.238139
C -2.559342 2.891924 0.915376
C -3.984196 -3.026464 1.198677
C -1.884784 2.764757 -1.431834
C -4.457790 -3.407866 -0.077600
C -2.446768 3.495417 -0.359500
H 1.691112 -1.878062 0.000577
H 1.647422 1.079112 -0.887560
H 2.237839 -0.275146 -1.897116
H 4.646495 -0.925758 -1.555505
H 3.886744 -1.815139 -0.198039
H 3.390655 2.375494 -0.322821
H 4.356970 1.618966 -1.634121
H 6.370358 -1.582586 0.111852
H 5.456530 -0.789662 1.428050
H 5.147464 1.842002 1.346006
H 5.867614 2.743982 -0.019479
H 7.294181 0.737216 0.676083
H 6.736027 0.618875 -1.011176
H 1.512318 -0.805885 2.176944
H 0.995148 0.757070 1.431427
H -2.256961 -1.607434 -2.019977
H -2.197732 1.094242 2.099737
H -2.510615 -1.849555 2.300948
H -0.991743 0.868636 -2.053424
H -4.191063 -3.189467 -2.230662
H -2.990694 3.454171 1.751435
H -4.459052 -3.426924 2.101603
H -1.792626 3.227201 -2.421310
H -5.302059 -4.100842 -0.167787
H -2.792474 4.523797 -0.514470


