%chk=000004355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004355

0 1
 O   -1.396800       1.343100     -0.3797000    
 O   -1.660500      -2.068100     -0.7821000    
 O   -3.116200       1.802200      -1.825300    
 N   -3.261700      2.3399999E-02 -0.3529000    
 N  -0.6685000      -1.756700       1.300700    
 N   0.4255000      -2.551000      0.9993000    
 N    6.214900      -1.748500      -1.238100    
 C   -2.745700     -0.6705000      0.8183000    
 C   -3.939100      -1.451200       1.357600    
 C   -4.780800      -1.722200      0.1117000    
 C   -4.585000     -0.4665000     -0.7236000    
 C   -1.651900      -1.579500      0.3454000    
 C   -2.630400       1.115600     -0.9291000    
 C    1.498100      -1.740900      0.4380000    
 C    2.730400      -2.604300      0.1680000    
 C    3.872800      -1.765800     -0.4149000    
 C  -0.6688000       2.455400     -0.9121000    
 C    5.146700      -2.570200     -0.6820000    
 C   0.6501000       2.561300     -0.2045000    
 C   0.7534000       3.333700      0.9472000    
 C    1.757100       1.886100     -0.7064000    
 C    1.979300       3.432200       1.605100    
 C    2.983000       1.984500     -4.8200000E-02
 C    3.094000       2.757600       1.107600    
 H   -2.366200      5.0400000E-02   1.550700    
 H   -3.664200      -2.373000       1.879000    
 H   -4.512000     -0.8221000       2.049900    
 H   -5.832600      -1.912900      0.3424000    
 H   -4.387900      -2.595500     -0.4221000    
 H   -5.312300      0.3101000     -0.4628000    
 H   -4.634700     -0.6475000      -1.801100    
 H  -0.7127000      -1.331700       2.221800    
 H   0.7353000      -2.976000       1.872600    
 H    1.170300      -1.279300     -0.5014000    
 H    1.764700     -0.9339000       1.132100    
 H    3.067200      -3.077200       1.099100    
 H    2.476700      -3.410400     -0.5316000    
 H    3.536500      -1.297400      -1.348700    
 H    4.107000     -0.9526000      0.2834000    
 H  -0.5109000       2.312800      -1.988400    
 H   -1.248100       3.376900     -0.7744000    
 H    4.927200      -3.383200      -1.382500    
 H    5.496200      -3.027700      0.2504000    
 H  -0.1091000       3.861300       1.344900    
 H    1.681700       1.279400      -1.604700    
 H    6.446100      -1.000100     -0.5860000    
 H    7.058200      -2.311900      -1.338400    
 H    2.065800       4.033700       2.505300    
 H    3.852300       1.463800     -0.4380000    
 H    4.048800       2.834800       1.619400    


%chk=000004355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004355

0 1
O -1.754417 1.558940 0.685476
O -1.997452 -3.051729 1.166245
O -2.379448 1.828123 -1.584386
N -2.982933 -0.080817 -0.371075
N -0.726842 -1.082001 1.401481
N 0.522006 -1.734117 1.566144
N 6.170218 -2.439409 -1.148982
C -3.121517 -0.851721 0.901715
C -4.404805 -1.673270 0.657638
C -4.357923 -1.969188 -0.864849
C -3.772563 -0.678420 -1.487193
C -1.891815 -1.795138 1.163603
C -2.387233 1.137938 -0.528296
C 1.482696 -1.488666 0.459924
C 2.812891 -2.205521 0.757689
C 3.860379 -1.981036 -0.354791
C -1.071403 2.897444 0.613759
C 5.199957 -2.687728 -0.063118
C 0.406752 2.741810 0.328029
C 1.351537 2.758090 1.385783
C 0.863502 2.573420 -1.006012
C 2.731304 2.604461 1.119543
C 2.241248 2.416817 -1.272422
C 3.178122 2.431161 -0.211275
H -3.211541 -0.144138 1.744951
H -4.402290 -2.597011 1.255906
H -5.291804 -1.066133 0.915186
H -5.349467 -2.207818 -1.283322
H -3.686475 -2.825562 -1.044991
H -4.557517 0.034959 -1.801386
H -3.123747 -0.870205 -2.359063
H -0.767900 -0.052437 1.302461
H 0.916936 -1.526582 2.494667
H 1.037222 -1.894117 -0.466814
H 1.674293 -0.400910 0.292740
H 3.221813 -1.840290 1.725172
H 2.611227 -3.286766 0.882564
H 3.478149 -2.350415 -1.325460
H 4.039574 -0.891118 -0.477276
H -1.580309 3.483273 -0.170285
H -1.257093 3.334312 1.607968
H 5.024056 -3.779322 -0.006475
H 5.559008 -2.368692 0.948098
H 1.006450 2.899370 2.417947
H 0.130712 2.558420 -1.821010
H 6.405980 -1.449620 -1.274945
H 7.006372 -3.030320 -1.117973
H 3.453960 2.626226 1.942962
H 2.585442 2.287975 -2.304505
H 4.247889 2.317977 -0.420846


