%chk=000037681.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037681

0 1
 O   0.3127000       1.586600       1.946400    
 N    1.390300     -0.1435000      0.7601000    
 N    4.515100       1.634900     -0.2069000    
 C  -0.9788000     -0.2940000      0.9964000    
 C  -0.3992000      -1.450200      0.2032000    
 C   0.2978000      0.5369000       1.318100    
 C   0.9861000      -1.310900      9.9600002E-02
 C   -1.924100      0.5315000      0.1826000    
 C   -1.638400     -0.7561000       2.292600    
 C    2.759900      0.3035000      0.8546000    
 C   -1.046500      -2.533200     -0.3710000    
 C    1.763100      -2.236500     -0.5758000    
 C    3.139700       1.171500     -0.3362000    
 C   -3.279400      0.2118000      0.1586000    
 C   -1.445000       1.616600     -0.5474000    
 C  -0.2771000      -3.476200      -1.056600    
 C    1.116100      -3.328400      -1.158300    
 C   -4.161100      0.9817000     -0.6001000    
 C   -2.326600       2.386600      -1.306000    
 C   -3.684700       2.069000      -1.332200    
 C    4.880100       2.498200      -1.321600    
 H   -2.105100      7.6399997E-02   2.833500    
 H   -2.391000      -1.538400       2.144700    
 H  -0.8900000      -1.185000       2.972100    
 H    2.858100      0.8909000       1.776400    
 H    3.424500     -0.5619000      0.9568000    
 H   -2.121000      -2.657200     -0.2944000    
 H    2.838400      -2.134200     -0.6655000    
 H    3.017500      0.6020000      -1.265800    
 H    2.457200       2.029200     -0.3889000    
 H   -3.689900     -0.6373000      0.6946000    
 H  -0.3949000       1.887600     -0.5887000    
 H  -0.7601000      -4.334300      -1.516200    
 H    1.695700      -4.073300      -1.697000    
 H   -5.217700      0.7316000     -0.6254000    
 H   -1.955300       3.228600      -1.882800    
 H    5.145400      0.8339000     -0.1778000    
 H   -4.370700       2.666700      -1.925300    
 H    5.913400       2.836600      -1.196900    
 H    4.244900       3.389200      -1.358100    
 H    4.812200       1.969800      -2.278200    


%chk=000037681-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037681

0 1
O 0.136215 1.323536 2.148453
N 1.329186 -0.180858 0.769284
N 4.508238 1.735867 0.055759
C -1.055379 -0.496980 0.848065
C -0.368384 -1.571053 0.010341
C 0.164412 0.349856 1.351305
C 1.031904 -1.328396 -0.012399
C -2.011365 0.430635 0.057690
C -1.778810 -1.114914 2.082566
C 2.665107 0.385068 0.989455
C -0.888973 -2.695815 -0.646325
C 1.924645 -2.174303 -0.697767
C 3.129331 1.277126 -0.186888
C -2.636906 1.514554 0.731353
C -2.278254 0.246274 -1.321972
C -0.006166 -3.566604 -1.339260
C 1.382809 -3.300800 -1.366266
C -3.521407 2.374529 0.047037
C -3.165953 1.108249 -2.007293
C -3.796233 2.172415 -1.326017
C 4.980245 2.802586 -0.847042
H -2.119172 -0.320363 2.767158
H -2.655984 -1.698234 1.752646
H -1.098460 -1.784247 2.638177
H 2.624811 0.994919 1.907162
H 3.384889 -0.441118 1.154808
H -1.964559 -2.904521 -0.623724
H 3.002095 -1.981556 -0.715547
H 3.001905 0.726140 -1.152758
H 2.471797 2.164775 -0.236384
H -2.401726 1.703799 1.783552
H -1.790202 -0.566026 -1.868936
H -0.402472 -4.446902 -1.856087
H 2.053885 -3.976966 -1.907767
H -3.990606 3.206768 0.583916
H -3.360413 0.946937 -3.073906
H 5.170890 0.950787 0.107958
H -4.484880 2.839426 -1.856825
H 6.020039 3.071374 -0.589774
H 4.358344 3.705172 -0.703982
H 4.947156 2.539565 -1.932566


