%chk=000127564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127564

0 1
 O  -0.7251000      -1.600000      0.1018000    
 O   -2.872300      -2.364600     -5.9200000E-02
 O   -4.491400      0.3751000      -1.487900    
 N    3.819500     -1.2800000E-02  0.4452000    
 N   -4.629100      0.5223000      0.8354000    
 N   -5.972400      0.8415000      0.8331000    
 C    2.442900      0.2509000      0.2861000    
 C    4.777700       1.074400      0.4624000    
 C    4.291900      -1.373400      0.6075000    
 C    1.529200     -0.8005000      0.2711000    
 C  -0.2886000      0.7883000     -2.9400000E-02
 C   0.1743000     -0.5158000      0.1133000    
 C    1.997000       1.566600      0.1440000    
 C   0.6344000       1.836700     -1.3500000E-02
 C    5.097100       1.511500     -0.9543000    
 C    4.581300      -1.990800     -0.7472000    
 C   -1.716500       1.014500     -0.1901000    
 C   -2.566400     -1.9300001E-02 -0.2002000    
 C   -2.096600      -1.414900     -5.0099999E-02
 C   -3.986800      0.3103000     -0.3681000    
 H    4.449800       1.914600       1.084600    
 H    5.714800      0.7446000      0.9291000    
 H    5.229600      -1.372200       1.178800    
 H    3.627500      -2.000800       1.210300    
 H    1.808000      -1.844000      0.3566000    
 H    2.656600       2.427400      0.1487000    
 H   0.3072000       2.867800     -0.1222000    
 H    5.587400      0.7149000      -1.520500    
 H    4.211900       1.816500      -1.519200    
 H    5.785300       2.363200     -0.9322000    
 H    3.709500      -1.961100      -1.408200    
 H    5.405900      -1.482500      -1.254300    
 H    4.873500      -3.038900     -0.6241000    
 H   -2.060000       2.038700     -0.3008000    
 H   -4.156400      0.4530000       1.731500    
 H   -6.066000       1.728400       1.326500    
 H   -6.442100      0.1465000       1.412000    


%chk=000127564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127564

0 1
O -0.713132 -1.278601 0.634271
O -2.861478 -2.053399 0.782643
O -4.369527 1.922517 -0.009964
N 3.934598 0.063579 0.407470
N -4.946264 -0.286722 0.443168
N -6.345074 -0.044363 0.346007
C 2.583040 0.382144 0.310268
C 4.984638 1.081674 0.169546
C 4.370705 -1.331216 0.655562
C 1.571708 -0.612282 0.500500
C -0.218938 1.080508 0.171553
C 0.221188 -0.254840 0.434767
C 2.151331 1.734323 0.030893
C 0.797921 2.061964 -0.028395
C 5.277888 1.359534 -1.324255
C 4.350766 -2.239314 -0.597294
C -1.622507 1.334696 0.118357
C -2.566837 0.329627 0.315484
C -2.141578 -1.042418 0.586487
C -4.019400 0.720589 0.241364
H 4.705876 2.020930 0.682906
H 5.906308 0.724696 0.663104
H 5.397197 -1.289182 1.061802
H 3.741009 -1.770158 1.452117
H 1.807971 -1.659069 0.697771
H 2.887604 2.522784 -0.138443
H 0.499169 3.095505 -0.237475
H 5.652999 0.453702 -1.831261
H 4.370779 1.694670 -1.856280
H 6.045743 2.149211 -1.420299
H 3.342964 -2.287164 -1.044099
H 5.048677 -1.869435 -1.368411
H 4.653715 -3.266770 -0.324215
H -2.007276 2.342021 -0.082403
H -4.637748 -1.254472 0.602591
H -6.670315 0.491708 1.165148
H -6.541119 0.489119 -0.514486


