%chk=000189908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189908

1 1
O 0.205487 -1.375615 1.345523
N -2.289222 0.481018 1.292215
N 0.546033 1.210568 -0.940999
N 1.011886 0.009238 -0.364245
C -3.495965 0.157052 0.393557
C -1.066181 0.544975 0.506763
C -2.532956 1.820033 1.970838
C -2.186783 -0.566156 2.384850
C -3.319379 -1.152778 -0.382350
C -0.729357 1.476790 -0.503099
C 0.039787 -0.402582 0.654834
C -4.546831 -1.423393 -1.266114
C -1.520501 2.591544 -1.058174
C 2.442487 -0.220328 -0.236659
C 1.222270 1.794158 -2.112377
C -4.385964 -2.724679 -2.044457
C 2.887446 -1.523718 -0.502692
C 3.327963 0.797433 0.150443
C 4.251620 -1.803988 -0.376344
C 4.687411 0.496494 0.260003
C 5.149053 -0.799076 -0.002365
H -3.649611 0.996854 -0.319487
H -4.408707 0.105280 1.030300
H -1.671240 2.100960 2.607002
H -2.669563 2.633771 1.232929
H -3.427376 1.792519 2.617056
H -1.992862 -1.578577 1.964497
H -1.333633 -0.368882 3.064188
H -3.108309 -0.617336 2.985651
H -3.167245 -2.007923 0.308583
H -2.405353 -1.116476 -1.011045
H -4.706169 -0.585641 -1.973727
H -5.464113 -1.476539 -0.644818
H -0.905504 3.459709 -1.358661
H -2.260892 2.985868 -0.337035
H -2.079057 2.282658 -1.962711
H 0.566581 1.789361 -3.003760
H 2.137360 1.223284 -2.382628
H 1.535007 2.833473 -1.893112
H -4.277745 -3.592665 -1.381942
H -3.512517 -2.707972 -2.706967
H -5.263653 -2.917346 -2.677108
H 2.182760 -2.308205 -0.784451
H 2.971265 1.799612 0.376207
H 4.614222 -2.816135 -0.570799
H 5.392344 1.274331 0.560027
H 6.213108 -1.026472 0.091058


%chk=000189908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189908

1 1
O 0.723937 -0.774016 2.082530
N -2.086076 -0.061758 1.261636
N 0.664153 0.724079 -1.123508
N 1.352474 0.083001 -0.060299
C -3.435970 0.217427 0.552359
C -0.881194 0.087961 0.389356
C -1.950917 0.931382 2.434959
C -2.123163 -1.487544 1.851031
C -3.890479 -0.851300 -0.455573
C -0.698058 0.720066 -0.853658
C 0.420663 -0.288301 0.945075
C -5.126773 -0.353758 -1.250322
C -1.629511 1.361141 -1.851273
C 2.779838 0.157900 0.103993
C 1.296841 0.841085 -2.454555
C -5.650197 -1.421335 -2.234268
C 3.470565 -1.006114 0.512483
C 3.464138 1.385238 -0.083349
C 4.863787 -0.938717 0.727321
C 4.860755 1.432003 0.111313
C 5.562473 0.272757 0.518113
H -3.342320 1.208973 0.080727
H -4.175615 0.304053 1.368267
H -0.981663 0.748335 2.922881
H -1.998271 1.954257 2.032103
H -2.774134 0.757803 3.145736
H -2.122450 -2.209799 1.024241
H -1.219626 -1.620841 2.463514
H -3.040598 -1.582818 2.452639
H -4.167711 -1.782888 0.069999
H -3.076329 -1.113358 -1.158370
H -4.871408 0.571229 -1.807296
H -5.933818 -0.077389 -0.542971
H -1.127891 1.515712 -2.818598
H -1.964436 2.355363 -1.502455
H -2.521200 0.747811 -2.044206
H 0.867791 0.113974 -3.165810
H 2.371110 0.634864 -2.348638
H 1.184350 1.864889 -2.845507
H -5.961498 -2.338488 -1.702000
H -4.876387 -1.704078 -2.971698
H -6.525112 -1.046273 -2.792431
H 2.921430 -1.937336 0.675676
H 2.912060 2.292045 -0.355310
H 5.402860 -1.834001 1.052421
H 5.396585 2.375131 -0.036127
H 6.644398 0.316133 0.678247


