%chk=000039088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039088

0 1
 O  -0.2972000      -1.045500      0.6165000    
 O   -2.554700      -2.011100     -7.3799998E-02
 O    5.856700     -0.2796000     -0.7288000    
 N   -3.679200      7.0000002E-03 -7.2400004E-02
 C   -5.955200      0.5944000     -0.1925000    
 C   -5.114000       1.836400     -0.4589000    
 C   -4.974500     -0.5394000     -0.4495000    
 C   -3.752700       1.453900      0.1045000    
 C   -2.559800     -0.7895000      8.6099997E-02
 C   -1.295400     -6.4599998E-02  0.4720000    
 C    1.005600     -0.6600000      0.3915000    
 C    1.384000      0.6482000      0.6546000    
 C    1.916500      -1.586900     -9.2500001E-02
 C    3.630000      0.1161000     -5.8800001E-02
 C    2.703800       1.038400      0.4279000    
 C    3.236400      -1.196600     -0.3190000    
 C    5.006300      0.5228000     -0.2947000    
 C    5.443400       1.956000     -1.2200000E-02
 H   -6.276900      0.5832000      0.8559000    
 H   -6.844400      0.5349000     -0.8258000    
 H   -5.038800       2.007000      -1.539700    
 H   -5.523200       2.738700      3.5000001E-03
 H   -5.200000      -1.442400      0.1255000    
 H   -4.929200     -0.7992000      -1.513000    
 H   -2.931000       1.960100     -0.4087000    
 H   -3.689000       1.663300       1.177800    
 H   -1.450300      0.4564000       1.422400    
 H   -1.062600      0.6404000     -0.3351000    
 H   0.6978000       1.386900       1.056900    
 H    1.612400      -2.609500     -0.2959000    
 H    2.969400       2.067600      0.6487000    
 H    3.939400      -1.933400     -0.6985000    
 H    5.314500       2.188600       1.048100    
 H    4.884200       2.653100     -0.6416000    
 H    6.506000       2.060300     -0.2543000    


%chk=000039088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039088

0 1
O -0.282300 -1.024492 -0.156536
O -2.756006 -1.993630 -0.757450
O 6.105201 -0.486977 0.258589
N -3.799192 0.006978 -0.211909
C -6.079774 0.514448 0.254354
C -5.314545 1.835140 -0.021992
C -5.164288 -0.570440 -0.357639
C -3.831140 1.440186 0.184285
C -2.680285 -0.776959 -0.420748
C -1.342344 -0.028296 -0.237719
C 1.033862 -0.563898 -0.067960
C 1.415325 0.802837 -0.030579
C 2.021505 -1.584423 -0.014617
C 3.782444 0.129525 0.112267
C 2.783154 1.134643 0.058043
C 3.374276 -1.237239 0.074494
C 5.243194 0.442357 0.208856
C 5.685545 1.904514 0.247796
H -6.183844 0.354990 1.343247
H -7.088603 0.505855 -0.190303
H -5.476554 2.155632 -1.067397
H -5.620349 2.660933 0.641883
H -5.217971 -1.544204 0.157314
H -5.386317 -0.749144 -1.427574
H -3.150537 2.051091 -0.437581
H -3.533635 1.564785 1.246363
H -1.359071 0.589585 0.683999
H -1.175828 0.644777 -1.106684
H 0.669030 1.601846 -0.066999
H 1.692530 -2.627088 -0.048029
H 3.065852 2.192407 0.085971
H 4.152747 -2.005955 0.116266
H 5.253589 2.428719 1.120867
H 5.359265 2.444961 -0.660379
H 6.783365 1.942537 0.313703


