%chk=000025596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025596

0 1
 O    2.466200      -1.958100      0.1002000    
 N   0.4353000     -0.2444000      0.8700000    
 N    1.734300      0.1784000      0.6331000    
 N    6.606500      0.7434000     -0.3657000    
 C   -1.929400      5.2900001E-02  0.2974000    
 C   -2.917500      0.8010000     -0.6013000    
 C  -0.4894000      0.4622000     -8.5000005E-03
 C   -4.340500      0.3802000     -0.3367000    
 C   -4.882500     -0.6777000      -1.051400    
 C   -5.085800       1.057700      0.6170000    
 C   -6.199300      -1.067200     -0.8069000    
 C   -6.402700      0.6681000      0.8616000    
 C   -6.959500     -0.3943000      0.1497000    
 C    2.679400     -0.7576000      0.2517000    
 C    4.052900     -0.2326000      3.5999998E-02
 C    5.123400      -1.077000      0.2104000    
 C    4.213000       1.082000     -0.3322000    
 C    6.382600     -0.5397000     -3.0000000E-03
 C    5.512900       1.522800     -0.5213000    
 H   -2.160300      0.2594000       1.350800    
 H   -2.042800      -1.030000      0.1562000    
 H   -2.819900       1.883900     -0.4500000    
 H   -2.674800      0.6252000      -1.657400    
 H  -0.2597000      0.2294000      -1.055700    
 H  -0.3850000       1.546700      0.1231000    
 H   0.2239000     -2.1600001E-02   1.842100    
 H   -4.298100      -1.209500      -1.797000    
 H   -4.660700       1.885000       1.177900    
 H    1.949000       1.150700      0.8288000    
 H   -6.632700      -1.894800      -1.360900    
 H   -6.994500       1.191700       1.606800    
 H   -7.984700     -0.6978000      0.3404000    
 H    5.015500      -2.114400      0.5049000    
 H    3.395800       1.770200     -0.5093000    
 H    7.273500      -1.147200      0.1177000    
 H    5.714800       2.546200     -0.8199000    


%chk=000025596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025596

0 1
O 2.470478 -2.010758 0.015246
N 0.420134 -0.202529 0.841677
N 1.778448 0.132869 0.692426
N 6.785724 0.703007 -0.359565
C -1.960245 0.111517 0.263326
C -2.988605 0.884156 -0.607420
C -0.516601 0.587041 0.013603
C -4.418432 0.427673 -0.352447
C -4.912803 -0.763868 -0.944911
C -5.275872 1.158204 0.509459
C -6.225252 -1.214915 -0.681600
C -6.590218 0.710975 0.777122
C -7.069472 -0.478793 0.182634
C 2.718244 -0.793464 0.232047
C 4.109110 -0.220096 0.038196
C 5.210462 -1.104914 0.141207
C 4.374673 1.134132 -0.290596
C 6.514947 -0.604241 -0.056551
C 5.715380 1.542744 -0.478473
H -2.224453 0.242526 1.333158
H -2.021208 -0.971228 0.048347
H -2.895617 1.968479 -0.400578
H -2.726389 0.736108 -1.673929
H -0.246278 0.429945 -1.047071
H -0.447904 1.686880 0.215219
H 0.145616 -0.295787 1.828575
H -4.266053 -1.338446 -1.620303
H -4.913500 2.086234 0.969800
H 2.095957 1.082770 0.930299
H -6.590637 -2.135391 -1.151075
H -7.239456 1.290534 1.443453
H -8.088544 -0.826158 0.386374
H 5.030004 -2.161448 0.360198
H 3.569638 1.862023 -0.442145
H 7.386653 -1.262720 0.024618
H 5.951270 2.580141 -0.741722


