%chk=000095253.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095253

0 1
 O   -1.501800      -2.901800       1.077500    
 N  -0.2036000      -1.733200     -0.4553000    
 N  -0.9996000      -3.810400     -0.9701000    
 C   1.5100000E-02 -0.5385000      0.3545000    
 C   -1.060700      0.4830000      0.1992000    
 C    1.419300      2.4599999E-02  0.1393000    
 C   -1.375200       1.331700       1.260500    
 C    2.440500     -0.4192000      0.9492000    
 C   -1.752500      0.5894000      -1.007300    
 C    1.612500      0.9557000     -0.8564000    
 C   -2.381500       2.286800       1.115500    
 C    3.722300      9.5100001E-02  0.7532000    
 C   -2.758700       1.544400      -1.152500    
 C    2.894100       1.470000      -1.052600    
 C   -3.073200       2.393000     -9.1100000E-02
 C    3.949000       1.039600     -0.2478000    
 C  -0.9462000      -2.810300     -1.5799999E-02
 H  -4.0300000E-02 -0.8797000       1.399000    
 H   0.1761000      -1.758600      -1.397200    
 H  -0.8435000       1.261100       2.205800    
 H    2.273300      -1.156000       1.728700    
 H   -1.524200     -4.7600001E-02  -1.857300    
 H   0.8233000       1.298400      -1.515100    
 H   -2.626000       2.948000       1.941700    
 H    4.543900     -0.2406000       1.379200    
 H   -3.295500       1.629500      -2.092900    
 H    3.072200       2.201800      -1.835100    
 H   -3.856100       3.137200     -0.2045000    
 H    4.947200       1.439000     -0.4014000    
 H  -0.5346000      -3.717600      -1.866800    
 H   -1.508500      -4.671400     -0.8002000    


%chk=000095253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095253

0 1
O -0.343604 -3.256294 0.926519
N -0.351103 -1.586609 -0.721255
N -0.405438 -3.863643 -1.323646
C -0.182312 -0.489529 0.255674
C -1.251185 0.602783 0.089574
C 1.271215 0.015295 0.224481
C -1.082282 1.867818 0.711689
C 2.227031 -0.581901 1.084557
C -2.459513 0.345906 -0.603268
C 1.703066 0.999361 -0.701311
C -2.091572 2.851686 0.632724
C 3.586782 -0.203813 1.023297
C -3.469287 1.331769 -0.689112
C 3.063298 1.375111 -0.768224
C -3.289599 2.590420 -0.072769
C 4.010204 0.775656 0.094898
C -0.360619 -2.918972 -0.298138
H -0.346444 -0.980013 1.236028
H -0.189086 -1.363214 -1.705280
H -0.157908 2.081421 1.260209
H 1.900347 -1.353814 1.791882
H -2.611140 -0.637938 -1.060014
H 0.972355 1.483870 -1.360522
H -1.943724 3.821374 1.121670
H 4.313474 -0.671308 1.697246
H -4.397480 1.113482 -1.229788
H 3.383896 2.137330 -1.487701
H -4.072105 3.354924 -0.136007
H 5.064567 1.070508 0.046271
H -0.469373 -3.627336 -2.311265
H -0.415364 -4.840928 -1.044521


