%chk=000008544.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008544

1 1
 O    5.331200     -0.1211000     -0.3546000    
 N  -0.9857000      0.6946000      0.1987000    
 C   -2.486000      0.7620000      0.3294000    
 C   -3.158300     -0.5574000      0.7311000    
 C   -3.102300       1.166000      -1.016400    
 C   -4.009100     -0.9628000     -0.4805000    
 C   -2.199000      -1.634900       1.197800    
 C   -4.394400      0.3687000      -1.102100    
 C  -0.9976000      -1.718900      0.2744000    
 C  -0.2779000     -0.3945000      0.1627000    
 C  -0.2985000       2.034200      6.2600002E-02
 C    1.199900     -0.3601000     -5.1000002E-03
 C    1.047500       2.011500      0.7736000    
 C    1.859100      0.8414000      0.2968000    
 C    1.927400      -1.467100     -0.4489000    
 C    3.251400      0.9137000      0.1910000    
 C    3.315700      -1.380100     -0.5672000    
 C    3.976700     -0.1954000     -0.2434000    
 H   -2.698500       1.515200       1.098100    
 H   -3.858300     -0.3475000       1.552500    
 H   -2.453700      0.8990000      -1.860800    
 H   -3.289000       2.243500      -1.073600    
 H   -4.887200      -1.546000     -0.1860000    
 H   -3.438300      -1.558200      -1.201100    
 H   -2.704300      -2.605700       1.253600    
 H   -1.856000      -1.393500       2.212300    
 H   -4.749900      0.2619000      -2.130800    
 H   -5.182100      0.8531000     -0.5130000    
 H   -1.285000      -2.042300     -0.7322000    
 H  -0.3217000      -2.479400      0.6796000    
 H  -0.9426000       2.804500      0.4990000    
 H  -0.1942000       2.224400      -1.011800    
 H   0.9126000       1.926500       1.859100    
 H    1.572300       2.953100      0.5749000    
 H    1.441400      -2.399900     -0.7173000    
 H    3.771500       1.834800      0.4419000    
 H    3.872400      -2.247400     -0.9130000    
 H    5.669400     -0.9774000     -0.6682000    


%chk=000008544-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008544

1 1
O 5.365280 -0.052131 -0.382172
N -0.984038 0.711992 0.278344
C -2.484648 0.765263 0.316919
C -3.196478 -0.565098 0.759098
C -3.065532 1.124002 -1.095852
C -4.106715 -0.961680 -0.439622
C -2.205014 -1.657514 1.204314
C -4.421802 0.380313 -1.141922
C -1.001009 -1.738367 0.237577
C -0.265637 -0.417893 0.168436
C -0.313324 2.048542 0.151954
C 1.183400 -0.351071 0.006946
C 1.069130 2.040715 0.815452
C 1.884410 0.869915 0.299958
C 1.930735 -1.487975 -0.423976
C 3.274483 0.931181 0.168293
C 3.321499 -1.424062 -0.575282
C 3.998022 -0.209490 -0.272490
H -2.724408 1.572018 1.032677
H -3.846786 -0.311828 1.616438
H -2.395470 0.720310 -1.880257
H -3.153556 2.212162 -1.253723
H -5.009853 -1.498374 -0.104418
H -3.567262 -1.631973 -1.138476
H -2.716091 -2.635830 1.231329
H -1.835440 -1.459560 2.228044
H -4.793267 0.254568 -2.172426
H -5.190477 0.940283 -0.576925
H -1.355939 -2.012142 -0.777699
H -0.307844 -2.531715 0.556513
H -0.973790 2.798603 0.615775
H -0.231182 2.284290 -0.927309
H 0.959512 1.960869 1.915715
H 1.574652 2.999891 0.612795
H 1.422067 -2.423628 -0.672921
H 3.831128 1.844309 0.398781
H 3.879125 -2.300738 -0.923674
H 5.831017 -0.869657 -0.693111


