%chk=000005184.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005184

0 1
 O    4.996500      -1.725500     -0.3653000    
 O   0.1202000      0.4643000      0.8353000    
 O  -0.8843000     -0.6087000     -0.9376000    
 O   -1.020400       3.001400      9.4999999E-02
 N    3.939400      0.7976000     -0.1592000    
 C    4.020400      -1.439600      0.6412000    
 C    3.654800      -1.475500     -0.7949000    
 C    3.856200     -5.7999999E-03   1.082100    
 C    3.282800     -6.1999999E-02  -1.170700    
 C    2.413200      0.2307000       1.577700    
 C    1.775800      0.1681000     -0.9271000    
 C    1.355100     -0.1700000      0.5232000    
 C    5.288500       1.216300     -0.5132000    
 C  -0.9354000      0.1560000      1.7300000E-02
 C   -2.180400      0.9126000      0.4712000    
 C   -2.225200       2.297300     -0.1908000    
 C   -3.440400      0.1035000      0.2074000    
 C   -4.087700      0.2500000      -1.003300    
 C   -3.900900     -0.7549000       1.185900    
 C   -5.243600     -0.4923000      -1.245500    
 C   -5.056700      -1.497400      0.9435000    
 C   -5.727900      -1.366000     -0.2722000    
 H    3.707300      -2.212700       1.322700    
 H    3.063400      -2.276000      -1.206800    
 H    4.584200      0.2928000       1.843100    
 H    3.556200      0.1919000      -2.199900    
 H    2.228700     -0.3391000       2.497200    
 H    2.281100       1.286900       1.849600    
 H    1.516700       1.208900      -1.162300    
 H    1.238600     -0.4559000      -1.648100    
 H    1.203900      -1.255400      0.6050000    
 H    5.696800       1.861300      0.2728000    
 H    5.263800       1.819100      -1.427800    
 H    5.994600      0.3978000     -0.6725000    
 H   -2.089600       1.061000       1.556700    
 H   -3.064500       2.889100      0.1890000    
 H   -2.294100       2.259100      -1.281300    
 H   -3.733500      0.8939000      -1.798900    
 H   -3.383300     -0.8654000       2.134000    
 H  -0.3016000       2.580900     -0.4060000    
 H   -5.763100     -0.3956000      -2.194400    
 H   -5.433400      -2.178600       1.700900    
 H   -6.626800      -1.945500     -0.4615000    


%chk=000005184-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005184

0 1
O 5.161519 -1.657116 -0.632515
O 0.176207 0.460252 0.681521
O -0.965546 -1.209704 -0.477716
O -1.152546 2.858391 1.006591
N 4.140265 0.842540 -0.271492
C 4.068347 -1.471625 0.398439
C 3.731724 -1.398174 -1.060748
C 3.948129 -0.023181 0.929432
C 3.423866 0.091561 -1.344923
C 2.486418 0.203684 1.418944
C 1.900761 0.330627 -1.118246
C 1.490841 -0.163006 0.294017
C 5.515114 1.310077 -0.565712
C -0.999934 -0.180024 0.226351
C -2.229036 0.584401 0.728508
C -2.159223 2.094622 0.286216
C -3.551468 -0.038840 0.303516
C -3.826590 -0.346960 -1.053903
C -4.569879 -0.239019 1.268777
C -5.092954 -0.842959 -1.433210
C -5.837517 -0.736575 0.891476
C -6.103658 -1.038527 -0.463443
H 3.862964 -2.343043 1.029916
H 3.251753 -2.209067 -1.619248
H 4.677996 0.228055 1.716321
H 3.741535 0.433410 -2.343616
H 2.260891 -0.392785 2.323050
H 2.383065 1.272257 1.674610
H 1.721765 1.417443 -1.195466
H 1.287619 -0.185723 -1.879739
H 1.314318 -1.253406 0.264537
H 5.881635 1.891104 0.300194
H 5.474758 1.998994 -1.429229
H 6.235636 0.497009 -0.785703
H -2.161884 0.602007 1.834463
H -3.124108 2.566854 0.531619
H -2.010812 2.150782 -0.814507
H -3.045355 -0.224594 -1.811142
H -4.369878 -0.004596 2.321963
H -0.303458 2.338990 0.974419
H -5.290620 -1.081356 -2.484383
H -6.612078 -0.889100 1.651402
H -7.085181 -1.425080 -0.759843


