%chk=000198520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198520

0 1
O -4.917233 -1.136251 -1.424741
N 1.698970 0.130542 0.329186
C -0.799507 1.352555 -0.621917
C -0.006961 1.882788 0.609032
C 0.691659 0.679751 1.294101
C 0.224950 0.707055 -1.595294
C -0.351707 -0.335303 1.818134
C -1.796144 0.275551 -0.203642
C 1.066101 -0.389235 -0.924858
C -1.555218 -0.525529 0.937567
C -1.495327 2.524065 -1.335450
C -0.873727 2.655274 1.604746
C 2.569555 -0.907892 0.983223
C -2.933900 0.036006 -0.979559
C -2.465231 -1.533215 1.288858
C -3.822919 -0.979714 -0.600291
C -3.612334 -1.776476 0.529866
C 3.638516 -1.410316 0.054167
C 4.680392 -0.679579 -0.375569
C 5.717381 -1.267104 -1.285641
C 4.898461 0.748411 0.010666
H 0.791286 2.571811 0.232670
H 1.275306 1.059829 2.173673
H 0.895288 1.495387 -1.989254
H -0.301187 0.280852 -2.469038
H -0.695970 0.000955 2.819011
H 0.142604 -1.315312 1.987174
H 0.441987 -1.291582 -0.745147
H 1.886530 -0.693816 -1.612687
H -0.803876 3.356968 -1.501103
H -1.889545 2.230260 -2.314599
H -2.337558 2.905602 -0.746545
H -0.321790 2.886979 2.521537
H -1.212750 3.606955 1.180972
H -1.769390 2.089863 1.890074
H 3.044167 -0.424819 1.869437
H 1.977880 -1.769313 1.371093
H -3.151417 0.615202 -1.875015
H -2.279447 -2.145357 2.171465
H -4.308327 -2.557333 0.811123
H 3.515173 -2.445425 -0.254835
H -5.508964 -1.862434 -1.116455
H 5.701648 -0.770947 -2.266022
H 5.572469 -2.339690 -1.463651
H 6.726488 -1.139824 -0.871355
H 5.619834 1.262588 -0.632422
H 5.258448 0.825666 1.044913
H 3.950736 1.314451 -0.039993


%chk=000198520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198520

0 1
O -5.117029 -1.065340 -1.384304
N 1.653385 0.013211 0.284910
C -0.825886 1.327218 -0.650396
C -0.001156 1.838068 0.579372
C 0.692847 0.625110 1.250265
C 0.189963 0.631833 -1.624295
C -0.382681 -0.339593 1.836425
C -1.864211 0.281867 -0.192453
C 1.008483 -0.484635 -0.954013
C -1.613928 -0.532613 0.954420
C -1.471766 2.520275 -1.398661
C -0.828532 2.660732 1.591505
C 2.570461 -0.982485 0.907790
C -3.045246 0.066144 -0.941956
C -2.557620 -1.526980 1.307863
C -3.970464 -0.931051 -0.572841
C -3.733745 -1.741913 0.561176
C 3.723502 -1.404244 0.005929
C 4.788052 -0.625075 -0.342273
C 5.900050 -1.161169 -1.228278
C 4.954532 0.811551 0.117977
H 0.809985 2.480163 0.178939
H 1.307681 0.997048 2.095455
H 0.884305 1.407598 -2.004057
H -0.358923 0.214334 -2.490796
H -0.709139 0.063100 2.817693
H 0.078495 -1.322297 2.058989
H 0.355889 -1.371601 -0.757978
H 1.809036 -0.819126 -1.639286
H -0.714842 3.309401 -1.566974
H -1.854456 2.218722 -2.391031
H -2.310415 2.959765 -0.830969
H -0.224462 2.891934 2.489664
H -1.151628 3.622216 1.155259
H -1.735081 2.120050 1.918457
H 2.962146 -0.518747 1.835940
H 2.028967 -1.910886 1.221980
H -3.273777 0.669725 -1.824498
H -2.366416 -2.149803 2.190964
H -4.447982 -2.521721 0.856324
H 3.689302 -2.433781 -0.378983
H -5.703363 -1.784559 -1.041681
H 5.983819 -0.569189 -2.161578
H 5.733993 -2.217064 -1.504413
H 6.882095 -1.087584 -0.719485
H 5.104482 1.480816 -0.752186
H 5.854742 0.915896 0.757091
H 4.071936 1.173578 0.666602


