%chk=000005529.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005529

0 1
 O    3.680600     -7.4299999E-02 -0.8959000    
 O    4.536100       2.689500      0.6397000    
 O    3.360000     -0.3927000       2.068000    
 O    5.301700      -2.357300      -1.057900    
 O   -8.308900      0.1725000      0.5413000    
 N    1.626600       1.085800     -0.6574000    
 N  -0.4928000       1.671400      -1.025200    
 N    1.301200      -1.194900      0.1127000    
 N   -2.782800     -0.2665000     -0.5300000    
 N   -1.064800      -1.792900      0.1376000    
 C    3.595700       1.629100      0.7940000    
 C    3.084600       1.197900     -0.5838000    
 C    4.290700      0.3935000       1.334700    
 C    4.719300     -0.3297000      6.3699998E-02
 C    4.917900      -1.828200      0.2009000    
 C   0.8714000     -5.7000001E-03 -0.3353000    
 C   0.7624000       2.067100      -1.065400    
 C  -0.4393000      0.3776000     -0.5708000    
 C   -1.426700     -0.5692000     -0.3175000    
 C   0.2573000      -2.026200      0.3217000    
 C   -3.840000      -1.202500     -0.2860000    
 C   -5.151900     -0.5485000     -0.5922000    
 C   -5.934000      0.1591000      0.2459000    
 C   -7.249700      0.7184000     -0.2340000    
 C   -5.614500      0.4265000       1.691300    
 H    2.797800       1.996200       1.447600    
 H    3.380100       1.901000      -1.371900    
 H    5.148200      0.6092000       1.979800    
 H    5.628500      0.1271000     -0.3476000    
 H    3.998400      -2.340700      0.4997000    
 H    5.702300      -2.057500      0.9281000    
 H    5.246600       2.386600      4.9400002E-02
 H    3.082100      0.1290000       2.840000    
 H    1.103100       3.045000      -1.377500    
 H    4.598600      -2.140100      -1.693800    
 H   0.5110000      -3.015600      0.6868000    
 H   -2.996500      0.6640000     -0.8737000    
 H   -3.815400      -1.562200      0.7486000    
 H   -3.729400      -2.084000     -0.9288000    
 H   -5.490900     -0.6818000      -1.619000    
 H   -7.447300      0.4971000      -1.288000    
 H   -7.262400       1.806700     -0.1157000    
 H   -5.703300       1.497400       1.903500    
 H   -6.307000     -0.1144000       2.343800    
 H   -4.598000      0.1326000       1.965600    
 H   -8.309700     -0.7902000      0.4024000    


%chk=000005529-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005529

0 1
O 3.947985 -0.039099 -1.213499
O 5.358630 2.546451 -0.808264
O 4.029467 0.641517 2.119582
O 3.580953 -2.646538 -0.333204
O -8.270001 -0.461713 -0.884038
N 1.928149 1.057071 -0.366825
N -0.088276 1.784991 0.472166
N 1.239863 -1.307441 -0.938600
N -2.505208 -0.069443 0.601476
N -1.117414 -1.733417 -0.384638
C 4.293253 1.945887 -0.005149
C 3.294838 1.219359 -0.948440
C 4.835002 0.795043 0.901741
C 4.690999 -0.486803 0.031601
C 3.944960 -1.677180 0.682714
C 1.041964 -0.033600 -0.470457
C 1.184178 2.111762 0.195612
C -0.188273 0.446503 0.060312
C -1.294428 -0.456921 0.097530
C 0.113386 -2.079288 -0.857300
C -3.693057 -0.944062 0.670977
C -4.841098 -0.384895 -0.144386
C -6.101730 -0.089560 0.289463
C -7.118319 0.452886 -0.704849
C -6.624307 -0.264998 1.702464
H 3.874152 2.778401 0.579222
H 3.207527 1.740986 -1.918480
H 5.892875 1.007840 1.148435
H 5.660257 -0.837995 -0.360210
H 3.067510 -1.314959 1.249418
H 4.625001 -2.180365 1.392219
H 5.695644 1.867364 -1.450521
H 4.269662 1.356568 2.760491
H 1.615209 3.094799 0.369039
H 2.800650 -2.229434 -0.831912
H 0.216436 -3.108806 -1.212665
H -2.580593 0.899554 0.920494
H -3.981244 -1.090073 1.727828
H -3.368819 -1.922031 0.270570
H -4.596550 -0.207040 -1.203054
H -6.633272 0.670791 -1.678626
H -7.588716 1.378094 -0.327102
H -6.833387 0.721796 2.161707
H -7.586440 -0.808995 1.677268
H -5.933491 -0.810758 2.364814
H -7.927029 -1.327048 -1.225528


