%chk=000193170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193170

0 1
O 2.033623 -1.914925 -0.592057
N 0.351765 -0.657870 0.257095
N 2.221402 1.072706 1.424819
N -4.169777 -0.099323 -0.225002
N -5.713839 -1.784026 -0.802883
N -6.533040 0.465162 -0.634221
C 4.599656 -0.055966 -0.886100
C 4.126481 -0.196982 0.580701
C 2.652395 0.046363 0.730567
C -1.571623 0.638733 1.134407
C -0.091512 0.443274 1.001518
C -2.163324 1.284990 -0.126997
C 4.453534 1.388660 -1.373951
C 6.054669 -0.525425 -1.004086
C 1.742935 -0.936013 0.067666
C 0.849730 1.276869 1.564056
C -3.702991 1.291028 -0.092529
C -5.398181 -0.405783 -0.539174
H 3.961267 -0.721020 -1.524716
H 4.361307 -1.218372 0.949834
H 4.695236 0.503056 1.229788
H -2.084530 -0.333910 1.324103
H -1.801978 1.257671 2.026249
H -1.819841 0.739889 -1.030722
H -1.791668 2.322514 -0.231822
H 4.751418 1.486406 -2.422669
H 5.071918 2.078417 -0.788669
H 3.418206 1.736913 -1.288020
H 6.161645 -1.575990 -0.712428
H 6.412991 -0.437090 -2.035761
H 6.727315 0.065878 -0.374085
H -0.333190 -1.285046 -0.176235
H 0.575441 2.152070 2.155667
H -4.078586 1.952722 -0.905161
H -4.064929 1.726519 0.867628
H -4.914884 -2.405800 -0.670580
H -6.510561 -2.132627 -0.276551
H -7.313257 0.119785 -1.184140
H -6.320222 1.423542 -0.884335


%chk=000193170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193170

0 1
O 0.398863 -1.434642 -0.472360
N -0.474165 0.392445 0.673656
N 2.037807 1.186474 1.505788
N -2.856551 0.061367 -0.107883
N -2.301024 -1.835325 -1.340552
N -4.518174 -1.024959 -1.455743
C 3.583769 -0.576971 -1.083700
C 3.143349 -0.733356 0.408167
C 1.915234 0.066578 0.763959
C -1.663129 2.269566 1.740148
C -0.364767 1.539661 1.415981
C -2.660344 2.455448 0.547082
C 4.045063 0.866395 -1.388484
C 4.702279 -1.593886 -1.408175
C 0.603630 -0.393084 0.274929
C 0.914566 1.932035 1.826090
C -3.618318 1.264960 0.237333
C -3.229964 -0.901288 -0.940030
H 2.702709 -0.816231 -1.711454
H 2.931970 -1.806052 0.586351
H 3.971475 -0.417042 1.069367
H -2.185701 1.732960 2.559917
H -1.398981 3.264742 2.142186
H -2.092690 2.705762 -0.369295
H -3.302526 3.328230 0.777265
H 4.303842 0.978762 -2.458512
H 4.941421 1.123671 -0.791267
H 3.260973 1.604984 -1.143228
H 4.358675 -2.632392 -1.244271
H 5.027612 -1.503365 -2.461796
H 5.588146 -1.421191 -0.765942
H -1.567275 0.120078 0.306019
H 1.078391 2.836689 2.418083
H -4.297778 1.584052 -0.585989
H -4.253965 1.083060 1.132698
H -1.294805 -1.724334 -1.054952
H -2.605386 -2.729056 -1.720173
H -4.703041 -1.604027 -2.270673
H -5.276189 -0.463718 -1.079334


