%chk=000048429.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048429

0 1
 O   3.3900000E-02  -2.038400      0.4275000    
 O   -3.139100      0.9660000      -1.105200    
 O    1.221300       2.302700     -0.7247000    
 N   0.6735000      0.1668000      4.3000001E-02
 N  -0.9598000       1.631200     -0.8393000    
 C   -1.714700     -0.3774000      0.3221000    
 C    2.080300     -0.1527000      0.2551000    
 C  -0.2656000     -0.8558000      0.2529000    
 C   -2.665100      -1.549600      3.0700000E-02
 C   -1.963400      0.1264000       1.755400    
 C    2.720600     -0.6360000      -1.068200    
 C   -2.023900      0.7711000     -0.6241000    
 C    2.800800       1.124500      0.7151000    
 C    2.197400      -1.214000       1.357800    
 C   0.3768000       1.431400     -0.5011000    
 C   -2.481100      -2.056400      -1.381900    
 C   -1.098300       1.327900       2.066700    
 C    4.206600     -0.9675000     -0.9818000    
 H   -3.711000      -1.245100      0.1643000    
 H   -2.492100      -2.374900      0.7330000    
 H   -1.752400     -0.6659000       2.484800    
 H   -3.016400      0.4078000       1.884400    
 H    2.582600      0.1201000      -1.852000    
 H    2.189300      -1.528300      -1.424700    
 H    3.185000       1.748800     -9.8899998E-02
 H    2.215400       1.724100       1.422300    
 H    3.714200      0.8596000       1.266100    
 H    1.511000      -1.043100       2.195800    
 H    2.110000      -2.242900      0.9935000    
 H    3.202400      -1.191300       1.800500    
 H   -1.167100       2.483000      -1.353400    
 H   -2.728400      -1.307600      -2.139400    
 H   -1.466400      -2.412800      -1.579100    
 H   -3.152300      -2.906200      -1.551200    
 H  -3.2299999E-02   1.114500       2.131800    
 H   -1.305900       2.214600       1.466500    
 H   -1.355800       1.644500       3.087700    
 H    4.803200     -9.2699997E-02 -0.7085000    
 H    4.400400      -1.762500     -0.2560000    
 H    4.564100      -1.317100      -1.956100    


%chk=000048429-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048429

0 1
O 0.035735 -1.955687 0.577959
O -3.251463 1.421734 -0.458991
O 1.170355 1.897692 -1.669539
N 0.717578 0.199862 -0.067848
N -1.013668 1.577555 -1.017468
C -1.748979 -0.330872 0.379547
C 2.219357 -0.056522 0.221289
C -0.272478 -0.770907 0.285599
C -2.666481 -1.474271 -0.171297
C -2.087233 -0.115710 1.904700
C 2.782473 -0.865521 -0.988116
C -2.085048 0.953266 -0.373339
C 2.944226 1.305831 0.418142
C 2.368997 -0.828701 1.562669
C 0.362089 1.252851 -0.952352
C -2.454199 -1.804896 -1.662520
C -1.334537 1.037623 2.598962
C 4.279323 -1.229178 -0.884803
H -3.711420 -1.157061 -0.001305
H -2.471259 -2.371945 0.441667
H -1.885430 -1.073964 2.418777
H -3.176040 0.071798 1.954316
H 2.616125 -0.267129 -1.903402
H 2.185953 -1.792853 -1.080328
H 3.052028 1.871783 -0.516281
H 2.399551 1.932208 1.148826
H 3.945921 1.107338 0.835132
H 1.812102 -0.321733 2.372300
H 2.023983 -1.868648 1.498805
H 3.435737 -0.820158 1.842513
H -1.225941 2.382746 -1.616806
H -2.661399 -0.933066 -2.310108
H -1.423751 -2.153359 -1.857213
H -3.139651 -2.613994 -1.971644
H -0.240165 0.887374 2.587998
H -1.553032 2.010888 2.122643
H -1.650592 1.109921 3.654842
H 4.917352 -0.329985 -0.815609
H 4.489178 -1.870587 -0.010305
H 4.592402 -1.786922 -1.786011


