%chk=000131425.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131425

0 1
 O  -0.6811000     -0.3938000       1.016700    
 N    3.784900      -1.584300     -0.1260000    
 C   -4.203000      0.3799000     -3.8899999E-02
 C   -5.489800     -0.4402000     -0.1673000    
 C   -3.005800     -0.4394000      0.4405000    
 C   -6.682100      0.3744000     -0.6707000    
 C   -1.759500      0.4242000      0.5841000    
 C   -7.949700     -0.4659000     -0.7114000    
 C   0.5779000     -1.2100000E-02  0.6318000    
 C    3.137500      0.7369000     -0.1503000    
 C    2.851800     -0.6298000      5.0600000E-02
 C    1.562000     -0.9785000      0.4422000    
 C   0.8576000       1.329600      0.4347000    
 C    2.139000       1.706600      4.3000001E-02
 C    4.435500       1.088400     -0.5447000    
 C    5.399200      0.1072000     -0.7274000    
 C    5.025700      -1.202900     -0.5069000    
 H   -4.377300       1.208900      0.6582000    
 H   -3.967400      0.8290000      -1.011800    
 H   -5.314000      -1.281300     -0.8494000    
 H   -5.733300     -0.8727000      0.8113000    
 H   -2.804900      -1.260000     -0.2593000    
 H   -3.232600     -0.9141000       1.403100    
 H   -6.844700       1.238000     -1.5500000E-02
 H   -6.469500      0.7622000      -1.673500    
 H   -1.555200      0.8808000     -0.3932000    
 H   -1.932200       1.212700       1.325800    
 H   -8.789600      0.1335000      -1.076200    
 H   -7.829400      -1.324700      -1.379600    
 H   -8.206000     -0.8385000      0.2854000    
 H    1.314700      -2.026400      0.6037000    
 H   0.1263000       2.114300      0.5993000    
 H    2.356600       2.762100     -0.1050000    
 H    4.702600       2.129300     -0.7116000    
 H    6.407600      0.3612000      -1.032100    
 H    5.736600      -2.012700     -0.6341000    


%chk=000131425-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131425

0 1
O -0.669406 -0.605104 -0.059603
N 4.017477 -1.598162 0.129356
C -4.351881 0.387655 -0.163494
C -5.654250 -0.443994 -0.133341
C -3.082110 -0.492549 -0.103220
C -6.932676 0.423316 -0.185360
C -1.800184 0.341415 -0.143314
C -8.228301 -0.416157 -0.156401
C 0.634646 -0.094179 -0.069489
C 3.342121 0.793192 -0.076563
C 3.025999 -0.621573 0.027488
C 1.665401 -1.039678 0.028191
C 0.937324 1.306528 -0.172185
C 2.267463 1.730429 -0.175279
C 4.722569 1.172964 -0.073744
C 5.705577 0.186731 0.028837
C 5.298712 -1.185092 0.128369
H -4.354233 1.098335 0.689505
H -4.336041 1.005500 -1.085922
H -5.657424 -1.151862 -0.988103
H -5.671192 -1.066254 0.785517
H -3.073048 -1.203440 -0.951387
H -3.084967 -1.097991 0.823265
H -6.929004 1.129887 0.669705
H -6.913862 1.045730 -1.103397
H -1.733740 0.920706 -1.088132
H -1.759725 1.047263 0.712708
H -9.127936 0.224989 -0.196793
H -8.269217 -1.110953 -1.016430
H -8.286595 -1.022898 0.766939
H 1.435870 -2.105071 0.107266
H 0.134253 2.045112 -0.248038
H 2.497347 2.800019 -0.254457
H 4.991909 2.233175 -0.152042
H 6.770653 0.438072 0.034679
H 6.056873 -1.974160 0.210371


