%chk=000025101.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025101

0 1
 O  -0.2123000     -0.8389000       2.018700    
 O    4.481300      -1.398200      -1.173300    
 O    5.144900       1.198900     -0.4402000    
 N   -2.434300     -0.4658000      0.2253000    
 C  -2.5699999E-02 -0.8057000      0.6043000    
 C   -1.106000      6.1000001E-02 -5.4299999E-02
 C   -3.463700      0.3733000     -0.3766000    
 C   -4.850700     -0.1968000     -8.4600002E-02
 C    1.361400     -0.2711000      0.3229000    
 C   -5.947300      0.6807000     -0.6893000    
 C    2.287400      -1.089800     -0.3004000    
 C    1.674800       1.024700      0.6952000    
 C   -7.329400      0.1012000     -0.4333000    
 C    3.566400     -0.5972000     -0.5594000    
 C    2.953600       1.517300      0.4362000    
 C    3.899500      0.7065000     -0.1912000    
 H  -0.1192000      -1.837500      0.2432000    
 H  -0.9332000      9.7999997E-02  -1.137300    
 H   -1.057200       1.087000      0.3295000    
 H   -3.318300      0.4246000      -1.462400    
 H   -3.400600       1.394100      2.0000000E-02
 H   -5.003200     -0.2727000      0.9995000    
 H   -4.926600      -1.212600     -0.4929000    
 H   -2.578200     -0.5209000       1.233200    
 H   -5.794100      0.7767000      -1.770500    
 H   -5.894700       1.689400     -0.2631000    
 H    2.033300      -2.105900     -0.5893000    
 H   0.9582000       1.666400       1.198500    
 H   -8.097700      0.7448000     -0.8731000    
 H   -7.425700     -0.8947000     -0.8773000    
 H   -7.527900      1.9900000E-02  0.6401000    
 H   0.5574000      -1.282000       2.415100    
 H    3.208100       2.532500      0.7284000    
 H    5.164400     -0.8518000      -1.594300    
 H    5.772800      0.4655000     -0.5408000    


%chk=000025101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025101

0 1
O -0.330159 -0.488555 2.179618
O 4.439932 -1.088338 -1.638417
O 5.375427 1.130675 -0.425874
N -2.390438 -0.300544 0.249817
C 0.007351 -0.604524 0.740476
C -1.047009 0.260035 0.026984
C -3.490910 0.450650 -0.388765
C -4.850999 -0.226155 -0.128279
C 1.434475 -0.158944 0.454739
C -6.033649 0.524430 -0.781584
C 2.236897 -0.890354 -0.458633
C 1.970537 1.000141 1.070913
C -7.392443 -0.163099 -0.525401
C 3.540134 -0.452300 -0.749530
C 3.283701 1.432455 0.781627
C 4.074497 0.710656 -0.132512
H -0.138399 -1.656000 0.410800
H -0.829396 0.261171 -1.058797
H -0.931425 1.313532 0.387348
H -3.299763 0.478812 -1.481347
H -3.541463 1.518071 -0.049073
H -5.022984 -0.294379 0.967293
H -4.806215 -1.266500 -0.505359
H -2.550077 -0.439645 1.258093
H -5.858104 0.600745 -1.874314
H -6.066308 1.564805 -0.398209
H 1.836292 -1.794949 -0.936565
H 1.355483 1.554569 1.786755
H -8.222738 0.388043 -1.004293
H -7.394932 -1.194688 -0.925157
H -7.607230 -0.223861 0.558345
H 0.349172 -0.978498 2.707889
H 3.710166 2.323850 1.251163
H 4.035705 -1.874273 -2.076308
H 5.772374 0.503862 -1.086942


