%chk=000048819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048819

0 1
 O   -4.840000     -0.3664000      -1.127300    
 N    3.281400      0.6945000     -0.1267000    
 N    1.181000       1.277100      0.1953000    
 N    1.953100      0.3612000     -0.1628000    
 N   -4.714600      -1.090300       1.045200    
 C  -0.1451000      0.8385000      0.1248000    
 C   -2.790900     -3.5300002E-02 -1.4300000E-02
 C    4.185900     -0.2641000     -0.7287000    
 C  -0.7382000      0.2308000       1.231500    
 C  -0.8751000       1.009400      -1.051600    
 C   -2.061000     -0.2062000       1.161900    
 C   -2.198000      0.5725000      -1.121100    
 C    3.818500       1.657400      0.8194000    
 C    4.241800      -1.485600      0.1270000    
 C   -4.170100     -0.4906000     -8.6800002E-02
 C    3.871200      -2.702900     -0.2859000    
 H    3.817200     -0.4879000      -1.736700    
 H    5.180400      0.1815000     -0.8346000    
 H   -2.456000     -0.6690000       2.058300    
 H   -2.746000      0.7172000      -2.048400    
 H  -0.1768000      9.4300002E-02   2.152400    
 H  -0.4219000       1.482700      -1.918900    
 H    4.771700       2.041800      0.4447000    
 H    3.973700       1.162100       1.781700    
 H    3.140800       2.505500      0.9451000    
 H    4.624900      -1.377200       1.138700    
 H    3.944100      -3.554900      0.3811000    
 H    3.490500      -2.871100      -1.287200    
 H   -4.241400      -1.234700       1.927700    
 H   -5.673400      -1.423000       1.017800    


%chk=000048819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048819

0 1
O -5.288719 1.146562 0.470963
N 3.225283 0.189059 -0.590787
N 1.153215 0.942563 -0.216808
N 1.917521 -0.120232 -0.393790
N -5.049518 -1.148769 0.624196
C -0.232022 0.624962 -0.067926
C -3.039502 0.243803 0.269237
C 4.152010 -0.962090 -0.627170
C -0.798763 -0.679431 -0.168137
C -1.088232 1.730556 0.187858
C -2.182092 -0.859311 0.000233
C -2.470739 1.541142 0.351358
C 3.717110 1.577849 -0.566676
C 4.892080 -1.176349 0.684376
C -4.527536 0.128022 0.456747
C 4.834532 -2.319776 1.408601
H 3.548822 -1.849876 -0.877635
H 4.876822 -0.791079 -1.448100
H -2.588867 -1.871905 -0.114141
H -3.143487 2.383537 0.541214
H -0.144376 -1.529030 -0.383672
H -0.640366 2.727342 0.253423
H 4.776163 1.580667 -0.870557
H 3.610498 2.024225 0.440144
H 3.119397 2.194782 -1.259461
H 5.509822 -0.337384 1.038188
H 5.393457 -2.435942 2.343822
H 4.224157 -3.173503 1.088752
H -4.470943 -1.981192 0.703954
H -6.058022 -1.231900 0.743395


