%chk=000197538.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197538

0 1
O 1.960811 -0.474836 -2.201939
O -0.537547 0.839917 -1.997062
O 6.271144 -1.177851 -0.185079
O 2.785164 1.287951 1.788858
N -2.300282 2.198690 -0.246859
N 3.721928 -0.418789 0.609620
N 1.296252 1.067079 -0.592823
N 7.065997 0.197537 -1.795239
C 3.669056 0.324130 -0.667531
C 4.636831 -0.267383 -1.704764
C -3.008742 0.911333 0.044016
C -4.503643 1.089966 -0.275650
C 2.223053 0.228525 -1.258423
C -0.849748 2.123183 0.034114
C -5.272490 -0.138445 0.126332
C -0.069528 1.271759 -0.973363
C 6.030092 -0.463905 -1.149345
C -5.328399 -1.247242 -0.732798
C -5.932731 -0.187118 1.363375
C 3.347006 0.196265 1.808320
C -6.041128 -2.388709 -0.357862
C -6.644978 -1.331392 1.732998
C -6.701447 -2.433617 0.874478
C 3.628630 -0.583186 3.052758
H 3.919086 1.407823 -0.485920
H 4.252785 -1.262664 -2.053145
H 4.610420 0.354876 -2.623287
H -2.881255 0.675422 1.123469
H -2.597436 0.050782 -0.530435
H -4.891320 1.990854 0.246250
H -4.645966 1.298225 -1.355905
H -0.689806 1.755177 1.074746
H -0.452252 3.168016 0.022274
H -2.443193 2.455181 -1.234220
H 4.283330 -1.282850 0.606980
H 1.625664 1.521050 0.292069
H -4.814500 -1.218805 -1.692106
H -5.890869 0.666561 2.036812
H -6.082037 -3.245854 -1.028019
H -7.157358 -1.363388 2.692942
H -7.256803 -3.322751 1.163487
H 3.314590 -0.010065 3.941829
H 3.086656 -1.540370 3.078945
H 4.699203 -0.808965 3.175251
H 6.938171 0.787753 -2.596649
H 8.016290 0.071630 -1.475600


%chk=000197538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197538

0 1
O 2.110656 -0.099108 -2.602724
O -0.570806 1.057488 -2.263029
O 5.960861 -1.484858 -0.057691
O 2.361027 1.287118 1.688536
N -2.285773 2.273830 -0.318340
N 3.580692 -0.324938 0.541583
N 1.285783 1.190170 -0.795888
N 7.169993 -0.166511 -1.524098
C 3.639080 0.441073 -0.724805
C 4.701224 -0.150621 -1.689298
C -2.938207 0.989245 0.030814
C -4.471979 1.101393 -0.155902
C 2.259872 0.464137 -1.490526
C -0.834159 2.293694 -0.143055
C -5.189885 -0.179759 0.239472
C -0.053479 1.439855 -1.185545
C 5.981737 -0.641024 -1.017505
C -5.231026 -1.290358 -0.643939
C -5.800409 -0.308884 1.513500
C 3.027199 0.185759 1.687835
C -5.863673 -2.495680 -0.265717
C -6.434948 -1.512729 1.897122
C -6.468467 -2.611675 1.007975
C 3.230086 -0.616182 2.960435
H 3.882380 1.492983 -0.466884
H 4.237085 -1.011012 -2.208228
H 4.909425 0.597900 -2.472101
H -2.714957 0.767294 1.092849
H -2.560393 0.132416 -0.574538
H -4.829595 1.956678 0.446101
H -4.677126 1.340054 -1.219427
H -0.578114 1.957808 0.880389
H -0.463220 3.335542 -0.231141
H -2.541560 2.564143 -1.273450
H 4.232327 -1.130667 0.588002
H 1.584912 1.493832 0.166859
H -4.769175 -1.206305 -1.635925
H -5.781564 0.542102 2.206081
H -5.888130 -3.341298 -0.962765
H -6.905157 -1.591693 2.884240
H -6.962418 -3.544871 1.301662
H 3.654652 0.043757 3.735935
H 2.251528 -0.967795 3.331276
H 3.894354 -1.484450 2.820045
H 7.204247 0.498009 -2.294856
H 8.043801 -0.514365 -1.127434


