%chk=000029237.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029237

0 1
 O   -1.926800       1.162700     -0.2067000    
 O    1.454900       2.467300     -0.4745000    
 O   0.1147000     -0.6673000     -0.7813000    
 O    3.524700      0.8273000      -1.354000    
 O   -3.198500       1.775400      -2.025200    
 O   0.8563000      -1.947500      -2.545100    
 N   -5.062000     -0.1220000       1.965200    
 N    1.663200      -5.059200      0.1983000    
 C  -0.7396000       1.587500     -0.8802000    
 C   0.2467000       2.079300      0.1710000    
 C  -0.1752000      0.4096000      -1.666400    
 C    2.608500       2.346600      0.2537000    
 C   -3.085100       1.315600     -0.8994000    
 C    3.643900       1.523300     -0.1892000    
 C    2.743000       3.055100       1.447700    
 C   -4.238300      0.8408000     -9.3800001E-02
 C   0.6277000      -1.789100      -1.355900    
 C    4.813600       1.408800      0.5619000    
 C    3.912900       2.940600       2.198800    
 C   0.8836000      -2.832900     -0.3314000    
 C    4.948100       2.117400       1.755900    
 C   -5.534400      0.8980000     -0.5941000    
 C   -4.057000      0.3267000       1.180100    
 C   0.6058000      -2.602700       1.011500    
 C    1.406700      -4.066800     -0.6832000    
 C   -6.594600      0.4459000      0.1839000    
 C    4.628400      8.5000005E-03  -1.735600    
 C   0.8562000      -3.599400       1.948200    
 C   -6.307900     -5.0600000E-02   1.445300    
 C    1.380400      -4.798900       1.494400    
 H  -0.9423000       2.414000      -1.573500    
 H   0.4225000       1.301900      0.9272000    
 H  -0.1766000       2.944900      0.6951000    
 H   0.7310000      0.7000000      -2.209600    
 H  -0.9202000      6.4199999E-02  -2.393200    
 H    1.948500       3.706500       1.801300    
 H    5.657900      0.7893000      0.2802000    
 H    4.018500       3.493700       3.127400    
 H    5.858700       2.029300       2.341500    
 H   -5.737000       1.291100      -1.586500    
 H   -3.081000      0.2444000       1.647600    
 H   0.1951000      -1.662200       1.367100    
 H    1.646400      -4.312000      -1.713300    
 H   -7.613100      0.4808000     -0.1854000    
 H    4.360600     -0.4710000      -2.683000    
 H    4.803500     -0.7950000      -1.012000    
 H    5.527700      0.6047000      -1.923600    
 H   0.6477000      -3.442500       3.000400    
 H   -7.099300     -0.4157000       2.091400    
 H    1.593600      -5.608300       2.184900    


%chk=000029237-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029237

0 1
O -1.750079 1.079105 0.021088
O 1.429218 2.812048 -0.177759
O 0.020283 -0.901836 -0.820788
O 3.231848 0.771169 -0.678582
O -2.956064 1.581295 -1.914074
O 1.560971 -1.834627 -2.307414
N -5.111472 -0.132276 2.119968
N 1.487713 -5.437861 -0.023498
C -0.485273 1.468091 -0.673568
C 0.517499 1.814722 0.433148
C -0.005647 0.360243 -1.609869
C 2.736397 2.877469 0.361034
C -2.925996 1.175484 -0.725986
C 3.693670 1.854858 0.083252
C 3.114267 4.016678 1.095785
C -4.117570 0.741556 0.058145
C 0.830345 -1.932635 -1.290053
C 5.016756 1.994116 0.565596
C 4.439591 4.156524 1.571431
C 0.716321 -3.147015 -0.431568
C 5.383431 3.141261 1.308128
C -5.393770 0.794008 -0.557993
C -4.028434 0.272605 1.395945
C -0.161224 -3.220587 0.680419
C 1.514880 -4.279988 -0.742112
C -6.520828 0.380260 0.179471
C 4.229594 -0.209349 -1.136023
C -0.201010 -4.414025 1.430512
C -6.333415 -0.073184 1.507372
C 0.635735 -5.488805 1.046397
H -0.680487 2.371709 -1.281446
H 1.076610 0.924097 0.769371
H -0.007850 2.277263 1.289595
H 1.011719 0.596823 -1.967166
H -0.689329 0.220410 -2.463063
H 2.359754 4.790276 1.272226
H 5.764418 1.221962 0.361136
H 4.726414 5.047874 2.138405
H 6.411593 3.237107 1.673568
H -5.473200 1.153226 -1.589111
H -3.058308 0.222005 1.898766
H -0.788888 -2.361920 0.934053
H 2.193640 -4.247259 -1.601154
H -7.523472 0.405255 -0.257495
H 3.668656 -0.899257 -1.782087
H 4.667952 -0.758800 -0.280732
H 5.031637 0.288891 -1.712936
H -0.864593 -4.515570 2.294446
H -7.184502 -0.404017 2.113407
H 0.632600 -6.431277 1.605711


