%chk=000057649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057649

0 1
 O   -3.634800     -0.8016000     -0.6107000    
 N   -1.428000     -0.6501000      0.1721000    
 N    5.577100       2.717900       1.117700    
 N    4.133100      0.5895000      -2.526100    
 C  -0.9924000      -1.997800      0.1474000    
 C   0.2914000      -2.333300      0.5470000    
 C   -1.886400      -2.964200     -0.2876000    
 C   -2.821200       1.313000     -8.3700001E-02
 C   0.6919000      -3.669000      0.5111000    
 C   -2.677800     -0.1299000     -0.1924000    
 C   -1.485800      -4.299900     -0.3233000    
 C  -0.1968000      -4.652200      7.5999998E-02
 C    1.248900      -1.333800       1.006300    
 C   -4.079100       1.874300      0.1359000    
 C   -1.700700       2.135900     -0.1985000    
 C   -4.216700       3.258500      0.2404000    
 C   -1.838300       3.520100     -9.3699999E-02
 C   -3.096400       4.081300      0.1257000    
 C    2.134600     -0.6782000      0.2236000    
 C    3.071900      0.3046000      0.7378000    
 C    3.981400      0.9977000      2.5900001E-02
 C    4.860200       1.945600      0.6311000    
 C    4.063900      0.7716000      -1.382000    
 H  -0.7436000      9.9999997E-05  0.5444000    
 H   -2.898800      -2.784700     -0.6139000    
 H    1.692900      -3.962200      0.8191000    
 H   -2.176600      -5.066800     -0.6619000    
 H   0.1149000      -5.692200      4.8200000E-02
 H    1.213400      -1.132200       2.075000    
 H   -4.964200       1.251100      0.2336000    
 H  -0.7076000       1.749700     -0.4084000    
 H   -5.196000       3.695700      0.4121000    
 H  -0.9676000       4.161900     -0.1918000    
 H   -3.203700       5.159100      0.2053000    
 H    2.145400     -0.9004000     -0.8398000    
 H    3.014700      0.4830000       1.811700    


%chk=000057649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057649

0 1
O -3.925365 -0.908803 0.427373
N -1.639906 -0.503161 0.035272
N 6.009640 2.584313 1.211148
N 6.143735 -1.483870 -0.745025
C -1.115151 -1.817934 -0.032371
C 0.316511 -1.995130 0.041869
C -1.960735 -2.943177 -0.223472
C -3.194802 1.389894 0.146027
C 0.842266 -3.309194 -0.150829
C -2.975857 -0.098851 0.209930
C -1.401754 -4.223920 -0.388636
C 0.003508 -4.412542 -0.366118
C 1.202680 -0.879015 0.360533
C -4.341201 1.905494 0.804108
C -2.339797 2.279649 -0.558977
C -4.613003 3.288296 0.784743
C -2.617063 3.663847 -0.582352
C -3.748550 4.172544 0.096349
C 2.572261 -0.827464 0.161919
C 3.357661 0.300949 0.575713
C 4.736499 0.426503 0.401231
C 5.433317 1.601627 0.842247
C 5.514195 -0.609078 -0.223353
H -0.963360 0.257010 -0.043837
H -3.041152 -2.795536 -0.238277
H 1.923810 -3.463583 -0.082261
H -2.067392 -5.080431 -0.539656
H 0.430772 -5.411870 -0.494107
H 0.754647 -0.000087 0.852141
H -5.004343 1.201864 1.317538
H -1.485933 1.906301 -1.139134
H -5.496306 3.677335 1.302131
H -1.960566 4.341206 -1.138791
H -3.960638 5.247014 0.078898
H 3.093050 -1.654449 -0.336527
H 2.841522 1.136348 1.068153


