%chk=000005314.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005314

2 1
 O    2.979700     -0.4119000     -3.2699998E-02
 O   -2.979500      0.4108000     -5.2299999E-02
 O    1.928800       1.640200     -0.1056000    
 O   -1.931000      -1.643400     -0.1110000    
 N    6.673000     -0.1168000      7.0100002E-02
 N   -6.672300      0.1191000      7.4299999E-02
 C    5.355700     -0.8002000      2.3700001E-02
 C   -5.354900      0.8011000      1.3700000E-02
 C    7.814600      -1.139300      0.1511000    
 C    6.766700      0.8017000       1.296200    
 C    6.886900      0.7394000      -1.185500    
 C   -6.893900     -0.7492000      -1.171600    
 C   -6.759600     -0.7872000       1.309700    
 C   -7.812800       1.143100      0.1516000    
 C    4.253800      0.2399000     -2.4400000E-02
 C   -4.253900     -0.2401000     -3.0400001E-02
 C   0.6365000     -0.4234000     -8.8100001E-02
 C  -0.6368000      0.4191000     -0.1209000    
 C    1.894900      0.4179000     -7.5099997E-02
 C   -1.895800     -0.4207000     -9.2600003E-02
 H    5.322600      -1.452900     -0.8572000    
 H    5.255200      -1.437600      0.9108000    
 H   -5.326300       1.445100     -0.8738000    
 H   -5.248900       1.447100      0.8938000    
 H    8.767700     -0.6033000      0.1788000    
 H    7.759500      -1.779900     -0.7340000    
 H    7.678200      -1.728900       1.062300    
 H    6.149400       1.690800       1.147300    
 H    7.809800       1.116500       1.404300    
 H    6.452800      0.2357000       2.178100    
 H    7.928800       1.075700      -1.192800    
 H    6.235300       1.615700      -1.156500    
 H    6.685200      0.1202000      -2.064400    
 H   -6.696800     -0.1388000      -2.057600    
 H   -6.242700      -1.625700      -1.137700    
 H   -7.936000      -1.084900      -1.169700    
 H   -6.440400     -0.2128000       2.184300    
 H   -7.802300      -1.100200       1.426900    
 H   -6.143800      -1.678200       1.166200    
 H   -7.670900       1.741600       1.056300    
 H   -7.762300       1.775000     -0.7400000    
 H   -8.766100      0.6080000      0.1900000    
 H    4.264100      0.8921000      0.8529000    
 H    4.307200      0.8468000     -0.9328000    
 H   -4.259700     -0.8838000      0.8533000    
 H   -4.312800     -0.8559000     -0.9325000    
 H   0.6690000      -1.075500     -0.9686000    
 H   0.6375000      -1.052700      0.8095000    
 H  -0.6540000       1.089200      0.7467000    
 H  -0.6527000       1.030000      -1.030900    


%chk=000005314-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005314

2 1
O 3.058485 -0.258782 0.205175
O -3.058255 0.264249 0.200756
O 1.889034 1.675092 -0.355383
O -1.888609 -1.678844 -0.326240
N 6.843446 -0.052733 0.017355
N -6.843312 0.052633 0.020829
C 5.391192 -0.564567 0.153148
C -5.391363 0.567087 0.149515
C 7.776818 -1.258534 0.185020
C 7.168235 0.974907 1.104653
C 7.081098 0.567651 -1.361851
C -7.082095 -0.582116 -1.351657
C -7.165832 -0.964095 1.119017
C -7.777515 1.259299 0.177199
C 4.307335 0.514055 0.001073
C -4.306797 -0.512387 0.009321
C 0.651425 -0.409574 0.173820
C -0.651059 0.414392 0.167997
C 1.864998 0.474567 -0.022917
C -1.864649 -0.472828 -0.014224
H 5.251864 -1.342446 -0.616459
H 5.309561 -1.037540 1.146381
H -5.253189 1.335979 -0.629288
H -5.309290 1.051793 1.137033
H 8.819624 -0.920168 0.089980
H 7.552474 -2.000437 -0.596308
H 7.617876 -1.702031 1.179710
H 6.571675 1.884534 0.946412
H 8.238248 1.225568 1.045751
H 6.941484 0.539633 2.089827
H 8.147766 0.821691 -1.455664
H 6.477380 1.480339 -1.466631
H 6.802255 -0.161739 -2.137578
H -6.804923 0.139557 -2.135149
H -6.477647 -1.495261 -1.447811
H -8.148626 -0.838141 -1.441534
H -6.937367 -0.518890 2.099336
H -8.235884 -1.215602 1.064621
H -6.569316 -1.875113 0.968794
H -7.618466 1.712636 1.167433
H -7.554011 1.993752 -0.611386
H -8.820101 0.919257 0.085878
H 4.367038 1.309498 0.764805
H 4.286624 0.982676 -0.998568
H -4.364115 -1.297981 0.783357
H -4.287502 -0.993922 -0.984203
H 0.631120 -1.164052 -0.636254
H 0.767889 -0.986725 1.108035
H -0.766869 1.005627 1.093470
H -0.631452 1.156533 -0.653398


