%chk=000059707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059707

0 1
 O   0.3316000     -0.6813000     -0.7642000    
 O   -1.168200     -0.7704000       1.444400    
 O   -1.470500      -1.864900      -1.563800    
 N    4.520200     -0.6634000      4.3400001E-02
 C    3.129500      -1.098100     -0.1476000    
 C    3.208200      -2.602400      0.1207000    
 C    4.421400      -2.786800       1.025800    
 C    4.983100      -1.389400       1.228700    
 C    2.588300     -0.8000000      -1.540200    
 C    4.656500      0.7782000      0.2128000    
 C    1.172100      -1.321200      -1.714500    
 C    6.106200       1.202800     -7.4999998E-03
 C    6.279600       2.701500      0.1849000    
 C   -1.793200     -0.2551000      0.2512000    
 C  -0.9938000      -1.044400     -0.7888000    
 C   -3.290400     -0.5732000      0.2581000    
 C   -1.556600       1.253900      0.1571000    
 C   -4.088700     -0.1952000     -0.8215000    
 C   -1.459400       2.018400       1.320000    
 C   -3.856500      -1.241800       1.343700    
 C   -1.437400       1.864900      -1.091100    
 C   -5.453100     -0.4854000     -0.8154000    
 C   -1.243400       3.393800       1.234400    
 C   -5.220900      -1.532000       1.349600    
 C   -1.221300       3.240400      -1.176500    
 C   -6.019200      -1.153700      0.2700000    
 C   -1.124300       4.004700     -1.3700000E-02
 H    2.490800     -0.6362000      0.6187000    
 H    3.353800      -3.183400     -0.7981000    
 H    2.297000      -2.967700      0.6072000    
 H    5.156700      -3.433000      0.5319000    
 H    4.150400      -3.254000       1.978000    
 H    6.074100      -1.417000       1.308300    
 H    4.576400     -0.9639000       2.155300    
 H    3.234300      -1.241100      -2.309200    
 H    2.576100      0.2822000      -1.711800    
 H    4.296700       1.107700       1.196200    
 H    4.052300       1.313000     -0.5284000    
 H   0.8229000      -1.076200      -2.724600    
 H    1.125600      -2.408200      -1.587300    
 H    6.428600      0.9310000      -1.020000    
 H    6.775000      0.6905000      0.6933000    
 H    5.660000       3.262500     -0.5220000    
 H    6.001300       3.001700       1.200200    
 H    7.323600       2.986400      2.0900000E-02
 H  -0.2782000     -0.3846000       1.521700    
 H   -3.674400      0.3079000      -1.689000    
 H   -1.561300       1.568100       2.303400    
 H   -3.268600      -1.550900       2.202500    
 H   -1.507700       1.294400      -2.012900    
 H   -6.074000     -0.1951000      -1.658000    
 H   -1.170900       3.989600       2.139600    
 H   -5.662200      -2.052400       2.194600    
 H   -1.128300       3.716400      -2.148300    
 H   -7.081300      -1.380600      0.2742000    
 H  -0.9566000       5.075700     -8.0300003E-02


%chk=000059707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059707

0 1
O 0.558010 0.013962 -1.043385
O -0.531255 1.008330 1.058190
O -1.407777 -0.739042 -2.034638
N 4.533580 -1.106846 0.109985
C 3.145377 -1.430722 -0.362840
C 3.132582 -2.980925 -0.557320
C 4.616159 -3.414909 -0.402849
C 5.175197 -2.362799 0.573526
C 2.831805 -0.631040 -1.650891
C 4.608769 0.033120 1.046321
C 1.369687 -0.694267 -2.088998
C 6.045444 0.556257 1.254392
C 6.082029 1.797076 2.172231
C -1.506996 0.722792 0.002230
C -0.828108 -0.098063 -1.133935
C -2.636977 -0.115878 0.641772
C -2.044413 2.055639 -0.591681
C -3.841253 -0.364967 -0.060671
C -2.110124 3.178531 0.271220
C -2.462221 -0.659297 1.936836
C -2.500460 2.181905 -1.927277
C -4.856434 -1.151243 0.525696
C -2.622660 4.408028 -0.194301
C -3.483386 -1.440375 2.524193
C -3.009246 3.416829 -2.391703
C -4.682933 -1.691826 1.821126
C -3.074235 4.533399 -1.529084
H 2.393618 -1.148307 0.411144
H 2.711986 -3.276862 -1.535315
H 2.514036 -3.458378 0.223868
H 5.146342 -3.341268 -1.369448
H 4.723312 -4.446327 -0.025446
H 6.275976 -2.285296 0.530415
H 4.890861 -2.617875 1.627653
H 3.460738 -1.023219 -2.474025
H 3.124607 0.426820 -1.509811
H 4.166188 -0.229395 2.044936
H 3.992861 0.857403 0.634662
H 1.195166 -0.177693 -3.049869
H 0.983991 -1.726461 -2.171094
H 6.476883 0.796252 0.263702
H 6.675714 -0.242272 1.692286
H 5.497881 2.631422 1.739737
H 5.656546 1.570366 3.168245
H 7.117285 2.153414 2.321526
H 0.352470 1.129317 0.621599
H -3.990879 0.051075 -1.061238
H -1.749740 3.072752 1.298751
H -1.532242 -0.452888 2.471882
H -2.459739 1.325747 -2.609351
H -5.783257 -1.339145 -0.027876
H -2.670071 5.267760 0.483781
H -3.340151 -1.851090 3.530293
H -3.354538 3.502902 -3.428230
H -5.473994 -2.298692 2.276220
H -3.470106 5.488966 -1.891041


