%chk=000031598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031598

0 1
 O  -7.5700000E-02  -1.358400     -0.1616000    
 O   -4.070900      0.6276000     -0.3294000    
 O   0.4666000       1.141300      0.4777000    
 O   -1.580200      -2.454000       1.193200    
 O    3.700700       2.463300      0.5510000    
 O    2.762400      0.8260000       1.680700    
 N   -3.042400       1.548800     -0.4862000    
 N    2.692900       1.743000      0.8109000    
 C    2.178700      -1.995300     -0.6571000    
 C    3.277200      -3.030100     -0.4309000    
 C   0.9080000      -2.349200      0.1023000    
 C   -2.215800     -0.4365000      9.3000002E-02
 C   -1.924300      0.8671000     -0.2211000    
 C   -3.546500     -0.5740000      2.3100000E-02
 C  -0.5984000       1.508600     -0.2826000    
 C   -1.280300      -1.532800      0.4497000    
 C    4.529700      -2.695800      -1.225100    
 C  -0.2631000       2.555400      -1.109700    
 C   -4.505900      -1.667400      0.2298000    
 C    1.094700       2.850200     -0.8401000    
 C    1.492600       1.962400      0.1324000    
 H    2.527000      -1.002500     -0.3563000    
 H    1.947600      -1.916800      -1.727000    
 H    2.920600      -4.023700     -0.7265000    
 H    3.528100      -3.079100      0.6351000    
 H   0.5359000      -3.327900     -0.2228000    
 H    1.112600      -2.382200       1.179000    
 H    4.319000      -2.673100      -2.299100    
 H    4.930200      -1.719900     -0.9326000    
 H    5.304000      -3.448400      -1.046700    
 H  -0.9050000       3.052400      -1.823900    
 H   -4.592400      -1.904000       1.294800    
 H   -5.501400      -1.401900     -0.1397000    
 H   -4.184300      -2.570700     -0.2980000    
 H    1.701900       3.615900      -1.301900    


%chk=000031598-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031598

0 1
O -0.128037 -1.497227 -0.338816
O -4.127611 0.748894 -0.037069
O 0.492194 1.163706 0.342225
O -1.727540 -2.763219 0.790101
O 3.711426 2.731321 0.266686
O 3.009416 0.802056 1.303061
N -3.021252 1.673164 -0.274909
N 2.810950 1.843921 0.561164
C 2.221918 -2.083336 -0.614137
C 3.319994 -3.167598 -0.495165
C 0.856236 -2.620967 -0.192701
C -2.228629 -0.489574 0.113716
C -1.905388 0.893682 -0.184150
C -3.620953 -0.527139 0.210420
C -0.638424 1.585459 -0.377939
C -1.366469 -1.687255 0.244182
C 4.707953 -2.631490 -0.906580
C -0.324639 2.720985 -1.132608
C -4.610780 -1.605423 0.485568
C 1.053980 3.023916 -0.894633
C 1.508571 2.058250 -0.000775
H 2.483233 -1.221211 0.027211
H 2.169671 -1.718951 -1.658807
H 3.055440 -4.041556 -1.125272
H 3.362864 -3.534295 0.550355
H 0.511730 -3.456475 -0.830487
H 0.842079 -2.955540 0.860459
H 4.706633 -2.291823 -1.959460
H 4.999617 -1.771644 -0.275539
H 5.486091 -3.409348 -0.803291
H -1.018039 3.253723 -1.778745
H -5.247938 -1.335483 1.346773
H -5.275394 -1.761070 -0.383328
H -4.074654 -2.538353 0.714699
H 1.649551 3.828200 -1.317807


