%chk=000117583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117583

0 1
 O    1.667500     -0.4065000     -0.3697000    
 O   -1.719900      -1.165000      0.2045000    
 O    3.773800       3.726300       1.192500    
 O   -5.288200       1.981900     -0.9446000    
 O    2.065600      0.7109000      -2.324600    
 O   -2.585500     -0.6349000       2.253600    
 N    2.936500       1.512500     -0.3265000    
 N   -3.658800      6.8599999E-02  0.3180000    
 C   0.3434000      -2.478100     -0.1669000    
 C    1.476000      -3.204700      0.6176000    
 C   0.9063000      -1.377000      -1.097500    
 C  -0.6472000      -1.856900      0.8540000    
 C  -0.4510000      -3.479600      -1.028600    
 C    2.546400      -3.885800     -0.2435000    
 C    3.629500      -4.515600      0.6216000    
 C    2.209400      0.6124000      -1.107400    
 C   -2.647400     -0.5819000       1.026700    
 C    3.700500       2.592100     -0.9474000    
 C    3.107600       1.394600       1.123900    
 C   -4.811000      0.6373000       1.013700    
 C   -3.732100      0.1314000      -1.144000    
 C    3.476000       3.896900     -0.1964000    
 C    2.912300       2.751500       1.787700    
 C   -5.119300       2.027300      0.4753000    
 C   -4.090400       1.542500      -1.591800    
 H    1.968200      -2.483000       1.283200    
 H    1.024900      -3.961000       1.274100    
 H   8.3300002E-02 -0.8610000      -1.608700    
 H    1.542000      -1.819200      -1.873700    
 H   -1.071400      -2.647800       1.486200    
 H  -0.1160000      -1.149500       1.503400    
 H   -1.294600      -2.998400      -1.536300    
 H  -0.8519000      -4.295600     -0.4170000    
 H   0.1742000      -3.924000      -1.810000    
 H    3.022500      -3.162200     -0.9122000    
 H    2.098100      -4.667000     -0.8657000    
 H    4.383200      -4.999300     -7.7000000E-03
 H    4.132400      -3.759500       1.233100    
 H    3.207100      -5.273500       1.289000    
 H    4.755400       2.299000     -0.8894000    
 H    3.436400       2.704000      -2.003300    
 H    2.419400      0.6616000       1.553000    
 H    4.131200       1.037500       1.286100    
 H   -5.653300     -3.7799999E-02  0.8222000    
 H   -4.641000      0.6707000       2.093900    
 H   -2.795100     -0.1858000      -1.609000    
 H   -4.517500     -0.5719000      -1.444400    
 H    4.136800       4.675900     -0.5892000    
 H    2.442600       4.247400     -0.3035000    
 H    1.872800       3.090400       1.704400    
 H    3.159800       2.688500       2.851900    
 H   -6.049300       2.402900      0.9131000    
 H   -4.321000       2.737600      0.7212000    
 H   -3.281300       2.248700      -1.370300    
 H   -4.265000       1.561300      -2.672000    


%chk=000117583-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117583

0 1
O 1.585951 -0.571989 -0.595362
O -1.542847 -1.268821 0.464621
O 2.113768 3.347261 2.112443
O -3.713439 2.308874 -1.903420
O 0.201563 1.010283 -1.667270
O -0.940539 0.644228 1.708745
N 1.911944 1.671226 -0.205581
N -2.774786 0.659838 0.246377
C 0.403331 -2.702039 -0.118892
C 1.657587 -3.347570 0.551586
C 0.797058 -1.671724 -1.203491
C -0.378625 -1.999830 1.019388
C -0.497560 -3.766539 -0.798901
C 2.533285 -4.244323 -0.353510
C 3.754262 -4.807229 0.407511
C 1.155131 0.742659 -0.878881
C -1.697558 0.075455 0.868093
C 1.563790 3.106087 -0.295611
C 2.894627 1.352506 0.854548
C -3.081199 2.086529 0.487384
C -3.530716 0.057157 -0.874517
C 1.086094 3.603426 1.085318
C 2.379256 1.897459 2.205230
C -2.893847 2.883595 -0.820845
C -3.314674 0.907303 -2.145294
H 2.289650 -2.534174 0.961519
H 1.317296 -3.952966 1.418846
H -0.096864 -1.239322 -1.685056
H 1.438186 -2.135072 -1.973771
H -0.781526 -2.750276 1.724203
H 0.258432 -1.283846 1.567006
H -1.467231 -3.324305 -1.088315
H -0.696115 -4.605214 -0.105997
H -0.025881 -4.184605 -1.706510
H 2.888927 -3.666314 -1.229073
H 1.932764 -5.085787 -0.749970
H 4.373546 -5.450349 -0.244156
H 4.397424 -3.990685 0.786206
H 3.435697 -5.413484 1.276568
H 2.465007 3.671150 -0.603730
H 0.780347 3.230850 -1.060635
H 3.047660 0.264461 0.896910
H 3.855718 1.842683 0.602708
H -4.133023 2.170249 0.824539
H -2.417648 2.459936 1.284333
H -3.193871 -0.978168 -1.026762
H -4.607378 0.051388 -0.612848
H 0.937759 4.695990 1.082957
H 0.144760 3.085847 1.364267
H 1.451292 1.364887 2.497521
H 3.145705 1.790856 2.990580
H -3.246484 3.921814 -0.703834
H -1.824539 2.873830 -1.118861
H -2.248376 0.867814 -2.447703
H -3.960190 0.558189 -2.968015


