%chk=000049171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049171

0 1
 O  -0.4107000       1.547800      -1.568200    
 O    2.557800      -2.013200      -1.100000    
 O   -1.043600      -1.693700       1.713300    
 N  -0.7117000      3.8800001E-02  0.1847000    
 N   0.7628000      -1.805700      0.3203000    
 C    2.386100      0.9804000     -0.3282000    
 C    1.401100      8.3099999E-02  -1.073900    
 C    2.139900      0.8835000       1.188400    
 C   4.4000000E-03  0.6221000     -0.8677000    
 C    1.628900      -1.342600     -0.6514000    
 C    3.820300      0.6061000     -0.7087000    
 C   -1.967900      0.6652000      0.5802000    
 C   -3.134600      4.5600001E-02 -0.1871000    
 C  -0.3761000      -1.175200      0.8141000    
 C    3.036500       1.796500       2.012500    
 C   -4.465300      0.6739000      0.2284000    
 C   -5.627900      8.7300003E-02 -0.5565000    
 H    2.220300       2.021100     -0.6387000    
 H    1.585800      0.1225000      -2.156200    
 H    2.302700     -0.1326000       1.561100    
 H    1.117300       1.176500       1.438600    
 H    4.163600     -0.3056000     -0.2101000    
 H    4.509100       1.405900     -0.4145000    
 H    3.928700      0.4790000      -1.791200    
 H   -1.917800       1.742800      0.3856000    
 H   -2.113700      0.5322000       1.658500    
 H   -3.171400      -1.036600     -1.1800000E-02
 H   -2.983100      0.1819000      -1.265200    
 H   0.9606000      -2.729100      0.6959000    
 H    2.752900       1.750000       3.069200    
 H    2.945900       2.836600       1.683600    
 H    4.087100       1.500000       1.939900    
 H   -4.432700       1.757300      6.4300001E-02
 H   -4.634700      0.5122000       1.299200    
 H   -5.708000     -0.9918000     -0.3909000    
 H   -6.568800      0.5500000     -0.2427000    
 H   -5.504600      0.2623000      -1.630100    


%chk=000049171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049171

0 1
O -0.377715 1.642907 -1.122752
O 2.585579 -2.152515 -0.823970
O -1.276371 -1.952332 1.727933
N -0.829270 -0.111937 0.337073
N 0.683185 -1.959698 0.477302
C 2.486738 0.972750 -0.261254
C 1.389723 -0.006647 -0.872576
C 2.531566 0.889787 1.288936
C 0.000997 0.566013 -0.587318
C 1.617994 -1.445114 -0.437456
C 3.863320 0.729100 -0.916131
C -2.148899 0.491368 0.685870
C -3.278078 0.024110 -0.256330
C -0.522079 -1.368730 0.907526
C 3.350681 2.027154 1.938148
C -4.631089 0.668373 0.121892
C -5.778984 0.213606 -0.804405
H 2.133056 1.984361 -0.547017
H 1.530307 0.032953 -1.968457
H 2.956262 -0.087993 1.593670
H 1.499049 0.929340 1.691725
H 4.235236 -0.288670 -0.708091
H 4.601646 1.457907 -0.538159
H 3.807388 0.848461 -2.013703
H -2.025317 1.585315 0.621014
H -2.374234 0.202864 1.726161
H -3.366999 -1.078379 -0.203436
H -3.018277 0.290764 -1.298871
H 0.854701 -2.904211 0.838416
H 3.289855 1.972233 3.040117
H 2.968385 3.017845 1.628141
H 4.418723 1.973778 1.662333
H -4.536874 1.772476 0.079872
H -4.879012 0.411801 1.171872
H -5.914293 -0.883218 -0.759523
H -6.736985 0.684116 -0.517515
H -5.570713 0.484561 -1.856336


