%chk=000063565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063565

0 1
 O    1.393300       1.629600     -0.1801000    
 N    1.435500     -0.6865000     -0.4416000    
 N  -0.6385000     -0.9545000      0.6493000    
 N   -2.873700      0.1629000      8.9900002E-02
 N    3.482400      -1.888600     -0.3042000    
 C  -2.3000001E-03 -0.7708000     -0.6458000    
 C    3.476600      0.5529000     -2.3399999E-02
 C    2.008500      0.5684000     -0.2191000    
 C   -2.106600     -0.9989000      0.5229000    
 C    4.151000     -0.6744000     -7.4199997E-02
 C    2.202000      -1.837200     -0.4709000    
 C    4.172200       1.744300      0.2077000    
 C    5.537900     -0.6894000      0.1106000    
 C   -4.257200      0.2169000      4.8900001E-02
 C    5.554000       1.711600      0.3899000    
 C    6.236100      0.4971000      0.3416000    
 C   -5.035300     -0.8896000      0.4381000    
 C   -4.922600       1.380000     -0.3822000    
 C   -6.428600     -0.8351000      0.3977000    
 C   -6.315900       1.434600     -0.4225000    
 C   -7.068800      0.3269000     -3.2499999E-02
 H  -0.3487000      0.1482000      -1.130300    
 H  -0.2201000      -1.618400      -1.306100    
 H  -0.3129000      -1.830000       1.058400    
 H   -2.359200      -1.849000     -0.1245000    
 H   -2.458100      -1.262900       1.528000    
 H    1.629700      -2.760400     -0.6519000    
 H   -2.358100      0.9900000     -0.1887000    
 H    3.658400       2.700500      0.2490000    
 H    6.084800      -1.628700      7.5900003E-02
 H    6.099600       2.633400      0.5697000    
 H    7.312700      0.4735000      0.4837000    
 H   -4.579500      -1.815800      0.7775000    
 H   -4.351100       2.253000     -0.6898000    
 H   -7.015400      -1.697400      0.7006000    
 H   -6.814600       2.339400     -0.7574000    
 H   -8.153600      0.3694000     -6.4099997E-02


%chk=000063565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063565

0 1
O 0.268011 0.691998 -0.079255
N 1.261722 -1.390063 -0.530875
N -0.749169 -2.228350 0.599670
N -2.329158 -0.429899 0.523284
N 3.660678 -1.715251 -0.549015
C -0.085612 -2.053405 -0.668295
C 2.692921 0.518154 -0.036835
C 1.324897 -0.003994 -0.201508
C -2.156984 -1.855953 0.774026
C 3.818544 -0.353159 -0.216313
C 2.424166 -2.153001 -0.685855
C 2.896174 1.884140 0.293929
C 5.133319 0.164553 -0.057319
C -3.559870 0.166230 0.254425
C 4.200226 2.380671 0.448117
C 5.319365 1.516956 0.271595
C -4.796062 -0.537745 0.389592
C -3.599476 1.533580 -0.164301
C -6.018310 0.106749 0.096133
C -4.826707 2.161552 -0.443002
C -6.050962 1.455707 -0.322176
H -0.715111 -1.406359 -1.302292
H 0.118413 -2.999624 -1.213917
H -0.376666 -2.927021 1.240540
H -2.840423 -2.422295 0.094174
H -2.431654 -2.146069 1.813151
H 2.261567 -3.205253 -0.946932
H -1.462079 0.123111 0.452194
H 2.017194 2.523878 0.422395
H 5.976278 -0.518059 -0.199347
H 4.359751 3.433119 0.704618
H 6.333725 1.912275 0.393187
H -4.808977 -1.574312 0.743377
H -2.657090 2.084978 -0.269068
H -6.955227 -0.452764 0.206966
H -4.830245 3.210711 -0.762361
H -7.003273 1.949217 -0.542609


