%chk=000015721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015721

0 1
 O   -2.344800      -1.264800       1.350400    
 N   -1.148200      0.3688000      0.2472000    
 N    1.594300      0.2297000     -0.5174000    
 C  -0.1307000      0.5980000       1.256800    
 C  -0.7109000       1.116300     -0.9225000    
 C   9.1399997E-02   2.113100       1.150200    
 C  -0.2932000       2.458800     -0.3034000    
 C    1.119300     -0.1973000      0.8154000    
 C   0.5021000      0.3547000      -1.505400    
 C   -2.175600     -0.5414000      0.3675000    
 C    2.661700     -0.6356000      -1.006900    
 C   -3.126600     -0.6075000     -0.7990000    
 C    3.844500     -0.6265000     -8.8200003E-02
 C   -4.198100      -1.654100     -0.5809000    
 C    4.314800      -1.712100      0.5363000    
 H  -0.4621000      0.2846000       2.251500    
 H   -1.495000       1.231300      -1.674500    
 H    1.113700       2.415800       1.398100    
 H  -0.5848000       2.641700       1.832800    
 H   -1.145500       3.148800     -0.2913000    
 H   0.5203000       2.948000     -0.8484000    
 H    1.897900     -3.5200000E-02   1.569500    
 H   0.8734000      -1.267900      0.8067000    
 H   0.1735000     -0.6405000      -1.833500    
 H   0.8716000      0.8923000      -2.386700    
 H    3.008800     -0.2734000      -1.982900    
 H    2.294400      -1.658600      -1.163000    
 H   -3.593400      0.3744000     -0.9320000    
 H   -2.564800     -0.8550000      -1.705900    
 H    4.351200      0.3227000      6.8999998E-02
 H   -4.874700      -1.688900      -1.440700    
 H   -4.795900      -1.432200      0.3095000    
 H   -3.761500      -2.650500     -0.4543000    
 H    5.179200      -1.639900       1.187200    
 H    3.849700      -2.683800      0.4129000    


%chk=000015721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015721

0 1
O -2.550024 -1.177147 1.426481
N -1.225271 0.302132 0.233734
N 1.556971 0.091542 -0.463137
C -0.179102 0.465880 1.276052
C -0.690238 1.036520 -0.939626
C 0.128385 1.989595 1.188510
C -0.204020 2.371674 -0.295885
C 1.039058 -0.390597 0.845130
C 0.501140 0.208676 -1.497358
C -2.324999 -0.527300 0.354791
C 2.752748 -0.646755 -0.933112
C -3.260708 -0.600254 -0.866256
C 3.956325 -0.410674 -0.042478
C -4.517343 -1.442407 -0.583475
C 4.762231 -1.384973 0.447133
H -0.567322 0.126632 2.248501
H -1.453302 1.179682 -1.720877
H 1.183890 2.193691 1.432869
H -0.512249 2.545834 1.894570
H -1.006360 3.128914 -0.341844
H 0.681894 2.763146 -0.822883
H 1.849726 -0.311056 1.591626
H 0.720029 -1.461662 0.802982
H 0.109214 -0.788583 -1.826980
H 0.931962 0.712302 -2.384186
H 2.984664 -0.272486 -1.952135
H 2.565151 -1.746472 -1.026663
H -3.548001 0.426839 -1.169201
H -2.699104 -1.028570 -1.721849
H 4.164933 0.646176 0.181048
H -5.151928 -1.506646 -1.486143
H -5.109456 -1.000890 0.235782
H -4.240246 -2.461854 -0.267485
H 5.640820 -1.150722 1.058451
H 4.566531 -2.446389 0.248012


