%chk=000200058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200058

0 1
O -0.794459 -1.746271 -0.395635
N -2.529529 -0.258250 -0.648222
N -2.847238 -2.333180 0.609206
C -1.287338 0.531070 -0.947376
C -0.918274 1.535420 0.157297
C -0.231976 -0.605464 -1.131438
C -2.130586 2.368103 0.587409
C -3.677837 0.485727 -0.066914
C -3.273623 1.457336 1.050655
C -2.136860 -1.493469 -0.051640
C 1.143190 -0.321567 -0.597775
C 1.996206 0.525802 -1.321429
C 1.590129 -0.899516 0.597604
C 3.279145 0.798915 -0.846841
C 2.875003 -0.629015 1.070934
C 3.728688 0.224278 0.354210
C 5.108797 0.504113 0.852510
H -1.463187 1.068246 -1.910752
H -0.100983 2.192699 -0.195284
H -0.508044 0.997121 1.037187
H -0.190771 -0.952647 -2.189414
H -2.470438 3.010823 -0.247376
H -1.840045 3.056708 1.403718
H -4.429896 -0.250526 0.304134
H -4.150171 1.037521 -0.911595
H -2.966934 0.888664 1.951277
H -4.148840 2.059426 1.357312
H 1.661378 0.972220 -2.256293
H 0.926592 -1.570471 1.148886
H -2.448120 -3.233131 0.858268
H 3.935496 1.456552 -1.413168
H 3.214536 -1.086230 1.998454
H 5.821338 -0.234767 0.454981
H 5.470137 1.496263 0.551215
H 5.174915 0.458500 1.947894


%chk=000200058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200058

0 1
O -0.807064 -1.734202 -0.277204
N -2.486983 -0.205220 -0.586122
N -3.075653 -2.324224 0.376384
C -1.242894 0.582848 -0.751130
C -1.001542 1.488595 0.479730
C -0.213606 -0.569478 -1.007226
C -2.269917 2.335845 0.759481
C -3.734121 0.494726 -0.236250
C -3.511517 1.433092 0.976452
C -2.213273 -1.491723 -0.120364
C 1.209870 -0.324221 -0.556085
C 2.107089 0.345196 -1.424124
C 1.668255 -0.721176 0.722507
C 3.427744 0.629222 -1.014903
C 2.992918 -0.443811 1.123028
C 3.895805 0.236972 0.265834
C 5.330209 0.501953 0.689977
H -1.319544 1.217915 -1.655944
H -0.124346 2.137926 0.300425
H -0.769761 0.862321 1.363013
H -0.235430 -0.820983 -2.085933
H -2.454893 3.017531 -0.097782
H -2.105927 2.976900 1.645739
H -4.489933 -0.277182 -0.016150
H -4.071358 1.081626 -1.113536
H -3.368531 0.817096 1.885456
H -4.416300 2.050555 1.134702
H 1.774491 0.645033 -2.426436
H 0.989019 -1.266840 1.384980
H -2.680832 -3.249444 0.608375
H 4.106867 1.151266 -1.700067
H 3.334230 -0.764062 2.115232
H 5.990485 -0.340219 0.404563
H 5.734043 1.411478 0.211171
H 5.412798 0.625692 1.784206


