%chk=000012118.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012118

0 1
 O  -0.3098000      -1.410200     -1.5000000E-03
 N   0.7369000      0.6925000     -4.4000000E-03
 C   -2.877600     -0.3304000     -7.1999999E-03
 C   -4.178200      0.4728000      2.8600000E-02
 C   -1.656900      0.5873000     -7.1000000E-03
 C   -5.399700     -0.4451000     -5.5999998E-03
 C  -0.3444000     -0.1841000     -4.3000001E-03
 C   -6.695000      0.3508000     -4.1000000E-03
 C    2.113500      0.3642000     -2.2000000E-03
 C    3.052900       1.382000     -2.7000001E-03
 C    2.492100     -0.9680000      1.3000000E-03
 C    4.409700       1.058300      5.0000002E-04
 C    3.848900      -1.291700      4.6999999E-03
 C    4.807700     -0.2785000      4.1999999E-03
 H   -2.858500     -0.9663000     -0.9011000    
 H   -2.836800      -1.002000      0.8592000    
 H   -4.206000       1.089700      0.9351000    
 H   -4.209800       1.156600     -0.8285000    
 H   -1.675000       1.232000     -0.8941000    
 H   -1.675400       1.231900      0.8801000    
 H   -5.367800      -1.075200     -0.9021000    
 H   -5.386400      -1.114700      0.8623000    
 H   -6.773800      0.9701000      0.8951000    
 H   -7.555400     -0.3254000     -2.7400000E-02
 H   -6.754200       1.005900     -0.8791000    
 H   0.5308000       1.689300     -6.6000000E-03
 H    2.753600       2.426300     -5.2999998E-03
 H    1.812800      -1.807400      2.0999999E-03
 H    5.156300       1.847200      1.9999999E-04
 H    4.160400      -2.332300      7.6000001E-03
 H    5.864100     -0.5306000      6.6999998E-03


%chk=000012118-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012118

0 1
O -0.295098 -1.429315 -0.004536
N 0.776460 0.660404 0.003015
C -2.912954 -0.305901 -0.006632
C -4.240986 0.482596 0.000742
C -1.679239 0.616249 0.003048
C -5.483923 -0.436682 -0.006078
C -0.353258 -0.165443 0.000148
C -6.813953 0.347234 0.003500
C 2.154894 0.299125 0.001957
C 3.106737 1.356009 0.007355
C 2.603517 -1.049424 -0.004375
C 4.486991 1.072323 0.006310
C 3.990128 -1.315177 -0.005339
C 4.939458 -0.267970 -0.000091
H -2.868297 -0.962503 -0.896005
H -2.868686 -0.980407 0.869180
H -4.281135 1.140645 0.894815
H -4.282167 1.154844 -0.882581
H -1.705029 1.288265 -0.880324
H -1.709112 1.274199 0.896857
H -5.445444 -1.092812 -0.899283
H -5.442481 -1.109780 0.874258
H -6.890361 0.987819 0.902565
H -7.684894 -0.333605 -0.000903
H -6.893988 1.003954 -0.883537
H 0.590676 1.666776 0.006750
H 2.764641 2.399713 0.012409
H 1.869227 -1.856446 -0.008174
H 5.207439 1.897851 0.010548
H 4.328005 -2.357725 -0.010286
H 6.011831 -0.489815 -0.000910


