%chk=000044941.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044941

0 1
 O    1.235900       1.779300     -0.1912000    
 O   -1.245100       1.792300     -0.1967000    
 O    4.670300     -0.6327000      4.4000000E-02
 O   -4.674400     -0.6347000      3.9099999E-02
 O    4.014400       1.548700     -0.2485000    
 O   -4.029300       1.550700     -0.2501000    
 N    2.468500     -0.1689000      4.7499999E-02
 N   -2.475200     -0.1590000      4.3200001E-02
 C  -7.3000002E-03 -0.3010000      0.1020000    
 C  -2.6400000E-02 -0.9930000       1.503100    
 C  -1.0000000E-03  -1.387900      -1.015100    
 C    1.280400      0.5608000     -1.8400000E-02
 C   -1.287300      0.5749000     -2.4200000E-02
 C   1.5300000E-02 -4.6200000E-02   2.699800    
 C   7.6099999E-02 -0.8472000      -2.442400    
 C    3.744500      0.3655000     -7.0400000E-02
 C   -3.753700      0.3688000     -7.2600000E-02
 C    6.040200     -0.2279000     -5.6499999E-02
 C   -6.046000     -0.2367000     -6.3800000E-02
 C    6.926500      -1.446200      9.0700001E-02
 C   -6.926400      -1.459700      8.0399998E-02
 H   0.8267000      -1.677200       1.591800    
 H  -0.9146000      -1.627900       1.605000    
 H   0.8413000      -2.075800     -0.8726000    
 H  -0.8946000      -2.018900     -0.9434000    
 H  -5.2000000E-03 -0.6217000       3.631100    
 H  -0.8460000      0.6283000       2.706400    
 H   0.9278000      0.5572000       2.703000    
 H  -0.7718000     -0.1933000      -2.666700    
 H   5.6100000E-02  -1.677000      -3.156500    
 H    1.000000     -0.2865000      -2.611500    
 H    2.421600      -1.171700      0.1982000    
 H   -2.427400      -1.162200      0.1899000    
 H    6.266800      0.4928000      0.7370000    
 H    6.211900      0.2390000      -1.032800    
 H   -6.218300      0.2303000      -1.040000    
 H   -6.278000      0.4822000      0.7300000    
 H    6.698700      -2.184500     -0.6852000    
 H    6.752700      -1.934900       1.055100    
 H    7.982800      -1.172500      1.8700000E-02
 H   -6.752000      -1.948400       1.044700    
 H   -6.693300      -2.196000     -0.6958000    
 H   -7.984000      -1.191300      6.5000001E-03


%chk=000044941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044941

0 1
O 1.031885 1.494420 0.956751
O -0.977555 1.218653 -1.256063
O 4.694684 -0.400904 -0.178588
O -4.678080 -0.345647 0.220765
O 3.963069 1.435073 1.101803
O -3.907634 1.137528 -1.438352
N 2.472335 -0.142661 0.095532
N -2.448638 -0.151085 -0.047814
C 0.008340 -0.578127 0.110768
C -0.281700 -1.317371 1.471208
C 0.277171 -1.683387 -0.977529
C 1.197470 0.387791 0.398316
C -1.163727 0.287765 -0.442305
C -0.658612 -0.440956 2.687110
C 0.637256 -1.201863 -2.401814
C 3.721334 0.424526 0.420049
C -3.687034 0.318061 -0.530465
C 6.108682 0.024589 0.048010
C -6.084460 0.010352 -0.135786
C 6.992844 -0.979236 -0.683507
C -6.990740 -0.812645 0.773022
H 0.629390 -1.897115 1.720920
H -1.062274 -2.087918 1.290293
H 1.057410 -2.374285 -0.590757
H -0.639861 -2.302766 -1.036197
H -0.830838 -1.083815 3.569384
H -1.572849 0.155080 2.517147
H 0.144660 0.272442 2.931895
H -0.168775 -0.587520 -2.834745
H 0.796154 -2.074868 -3.060440
H 1.553949 -0.586023 -2.427554
H 2.530920 -1.004017 -0.451346
H -2.523546 -0.854434 0.690073
H 6.296152 0.040616 1.136936
H 6.226036 1.053165 -0.337885
H -6.239037 -0.215390 -1.206414
H -6.212766 1.097983 0.010080
H 6.770518 -0.987352 -1.764193
H 6.846415 -1.998883 -0.287829
H 8.054904 -0.704569 -0.550013
H -6.801431 -0.580709 1.834971
H -6.832663 -1.893521 0.616736
H -8.048159 -0.581075 0.550627


