%chk=000004422.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004422

0 1
 O    2.315700      0.3402000      -1.661700    
 O   -1.461300       2.127900      0.2542000    
 O    4.286200      -1.785600      -1.272500    
 N   -2.273100     -0.6678000      0.5403000    
 C   0.2359000      0.5206000     -0.4546000    
 C  -0.5096000       1.163200      0.7218000    
 C   -1.288000      4.8000002E-03   1.431400    
 C    1.354100       1.336600      -1.147800    
 C  -0.7963000     -6.4300001E-02  -1.448800    
 C    1.106100     -0.5865000      3.8300000E-02
 C   0.4404000       1.942600       1.651500    
 C  -0.3234000      -1.092900       2.008300    
 C   -1.745500      -1.070600     -0.7709000    
 C   0.8650000      -1.396000       1.132800    
 C    1.266200       2.971400      0.8663000    
 C   -3.543100      4.0800001E-02  0.4175000    
 C    2.077100       2.328700     -0.2332000    
 C   -4.586400     -0.8071000     -0.2805000    
 C    2.242900     -0.6781000     -0.7384000    
 C   -5.940100     -0.2295000     -0.4814000    
 C   -5.012900     -0.4109000      -1.647200    
 C    1.801300      -2.396800       1.390300    
 C    3.170200      -1.668800     -0.5131000    
 C    3.383000       2.618400     -0.3635000    
 C    2.935600      -2.540300      0.5610000    
 H   -1.842400      0.4116000       2.287900    
 H   0.9507000       1.889600      -2.005000    
 H  -0.2980000     -0.5681000      -2.287500    
 H   -1.386300      0.7491000      -1.889600    
 H    1.123900       1.276600       2.189600    
 H  -0.1402000       2.478200       2.413300    
 H  -0.8789000      -2.017100       2.212100    
 H   5.8400001E-02 -0.7366000       2.973800    
 H   -2.520400      -1.355200      -1.488900    
 H   -1.199000      -2.010800     -0.6219000    
 H   -3.931200      0.2603000       1.419800    
 H   -3.443000      0.9958000     -0.1053000    
 H    1.911100       3.510600       1.571100    
 H   0.6017000       3.720700      0.4187000    
 H   -4.549200      -1.856400     -1.3700000E-02
 H   -1.944300       2.470800       1.025500    
 H   -6.133100      0.7817000     -0.1447000    
 H   -6.792100     -0.8943000     -0.4086000    
 H   -5.239700      -1.200300      -2.353600    
 H   -4.592700      0.4793000      -2.098600    
 H    1.672500      -3.065300       2.237300    
 H    3.993200       2.175800      -1.143100    
 H    3.874700       3.318700      0.3039000    
 H    3.651500      -3.329000      0.7821000    
 H    4.269800      -1.087300      -1.950000    


%chk=000004422-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004422

0 1
O 2.411865 0.416627 -1.651554
O -1.399335 2.212058 0.203210
O 4.395280 -1.839434 -1.280896
N -2.283394 -0.552957 0.419936
C 0.294223 0.597787 -0.462326
C -0.460736 1.194683 0.748497
C -1.296136 0.005385 1.379328
C 1.421787 1.463227 -1.120919
C -0.746068 0.089427 -1.509386
C 1.130774 -0.566634 0.041944
C 0.497194 1.908982 1.723643
C -0.377517 -1.125565 1.959444
C -1.677363 -0.978329 -0.871017
C 0.839001 -1.439270 1.095201
C 1.297045 3.000394 0.963132
C -3.584796 0.150152 0.311654
C 2.147842 2.397204 -0.146768
C -4.722486 -0.788939 -0.081116
C 2.290049 -0.658667 -0.731061
C -6.078170 -0.193115 -0.490036
C -5.201010 -0.891324 -1.540785
C 1.768298 -2.494625 1.311708
C 3.213358 -1.698990 -0.533461
C 3.471352 2.663039 -0.279565
C 2.922238 -2.628144 0.499699
H -1.874860 0.421002 2.231301
H 1.069142 1.995440 -2.020840
H -0.210337 -0.353887 -2.370840
H -1.332771 0.952987 -1.870462
H 1.195394 1.187468 2.184835
H -0.090785 2.371954 2.543102
H -1.016800 -2.016382 2.101903
H -0.029946 -0.820877 2.968058
H -2.494923 -1.239522 -1.563042
H -1.096470 -1.904729 -0.701705
H -3.811593 0.572831 1.312092
H -3.560036 1.008264 -0.401806
H 1.945832 3.560764 1.660273
H 0.568200 3.716007 0.533234
H -4.746386 -1.714900 0.504886
H -1.957095 2.549045 0.949922
H -6.160030 0.898013 -0.543362
H -6.990053 -0.695071 -0.154466
H -5.520085 -1.866775 -1.919601
H -4.708670 -0.256629 -2.285786
H 1.604277 -3.214861 2.121573
H 4.067253 2.206455 -1.076053
H 3.988062 3.331735 0.418551
H 3.636290 -3.439675 0.672726
H 4.470098 -1.093229 -1.928299


