%chk=000004810.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004810

0 1
Cl -1.287057 -3.230940 0.210211
O 0.207279 1.695235 0.796146
N 3.235447 -0.912113 0.735301
N 0.849248 -1.071990 0.659287
N 2.101998 0.175384 -0.964605
N -2.004380 1.280664 0.080953
N -2.783263 -0.982206 -0.159889
C 4.341500 -0.230213 0.016714
C 3.554713 0.504115 -1.140236
C 2.027622 -0.551386 0.104687
C -0.429993 -0.577427 0.368294
C -0.771293 0.820525 0.395159
C -1.545772 -1.407755 0.116021
C -2.982968 0.369222 -0.209393
C -4.341018 0.875159 -0.616335
C -0.117611 3.137318 0.727580
H 5.075857 -0.957099 -0.373002
H 4.872331 0.481556 0.677293
H 3.698028 1.600430 -1.110553
H 3.884237 0.149956 -2.133369
H 3.272402 -1.042435 1.747890
H 0.886487 -2.056502 0.942897
H -4.523628 1.872343 -0.186168
H -4.401502 0.964739 -1.717829
H -5.123728 0.169666 -0.296199
H -0.982231 3.371184 1.370774
H -0.348927 3.425223 -0.311095
H 0.795222 3.635347 1.084364


%chk=000004810-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000004810

0 1
Cl -1.290586 -3.231319 0.217522
O 0.203393 1.696216 0.799215
N 3.237134 -0.915668 0.735798
N 0.845448 -1.071467 0.664486
N 2.110426 0.187652 -0.975315
N -2.007994 1.280158 0.081520
N -2.786649 -0.982854 -0.156999
C 4.344745 -0.235172 0.013481
C 3.564675 0.508942 -1.145045
C 2.028117 -0.550892 0.106781
C -0.433355 -0.577564 0.372671
C -0.774818 0.820502 0.397653
C -1.549048 -1.408218 0.120729
C -2.986331 0.368381 -0.208668
C -4.343815 0.873936 -0.618089
C -0.120998 3.138324 0.727700
H 5.074155 -0.965680 -0.378995
H 4.879515 0.472512 0.675322
H 3.713901 1.604170 -1.110762
H 3.895598 0.157070 -2.138335
H 3.275298 -1.044419 1.748301
H 0.882401 -2.054980 0.950951
H -4.531799 1.866689 -0.179957
H -4.398761 0.973654 -1.719015
H -5.125897 0.163174 -0.308385
H -0.986950 3.373455 1.368601
H -0.349978 3.424646 -0.311947
H 0.791173 3.636751 1.085678


