%chk=000030335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030335

0 1
 O   0.2489000       1.041800       2.131700    
 O   -1.606900      -2.432100      0.6962000    
 O   6.5600000E-02   2.803600      6.6200003E-02
 N   0.6859000     -3.9799999E-02  5.6800000E-02
 C   -1.575500      0.4700000      0.6075000    
 C   -2.395100     -0.3471000       1.606900    
 C   -2.126600       1.889100      0.4605000    
 C   -1.458300     -0.2215000     -0.7254000    
 C  -0.1074000      0.5326000       1.077200    
 C  -0.1186000     -0.5138000      -1.003300    
 C   -1.749400      -1.698300       1.909200    
 C   -1.258700       2.749400     -0.4565000    
 C   -2.475900     -0.5861000      -1.597200    
 C   0.2140000      -1.239000      -2.139500    
 C    2.103100     -0.1181000      9.2699997E-02
 C   -2.603400      -2.507400       2.876200    
 C   -1.807000       4.166600     -0.5554000    
 C   -2.139800      -1.278100      -2.759200    
 C  -0.8050000      -1.609600      -3.023400    
 C    2.842500     -8.4200002E-02  -1.094400    
 C    2.772400     -0.2313000       1.316000    
 C    4.234800     -0.1623000      -1.058700    
 C    4.164700     -0.3095000       1.351700    
 C    4.895800     -0.2749000      0.1644000    
 H   -3.408600     -0.5002000       1.212600    
 H   -2.500200      0.2085000       2.548000    
 H   -2.164800       2.359000       1.452900    
 H   -3.154700       1.864400      7.7500001E-02
 H  -0.7541000      -1.583200       2.349300    
 H   -1.208900       2.328400      -1.466100    
 H   -3.512600     -0.3523000      -1.379800    
 H    1.214500      -1.587100      -2.360000    
 H   -3.600600      -2.695200       2.463000    
 H   -2.149300      -3.487800       3.055900    
 H   -2.713300      -1.992600       3.835500    
 H   -1.810000       4.655900      0.4249000    
 H   -1.173800       4.777400      -1.208000    
 H   -2.825400       4.172500     -0.9554000    
 H   -2.918200      -1.579800      -3.454300    
 H  -0.5611000      -2.177900      -3.917200    
 H   -2.496500      -2.669100      0.3822000    
 H   0.6013000       3.337200     -0.5453000    
 H    2.390600      0.1071000      -2.061600    
 H    2.239400     -0.2985000       2.259300    
 H    4.806100     -0.1117000      -1.981000    
 H    4.679500     -0.4045000       2.303300    
 H    5.980100     -0.3320000      0.1925000    


%chk=000030335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030335

0 1
O 0.412173 0.804499 2.199129
O -1.306201 -2.549435 1.161444
O -0.026348 2.789346 -0.507320
N 0.779947 -0.151894 0.045877
C -1.485683 0.434760 0.609064
C -2.394220 -0.326741 1.630732
C -2.002707 1.913280 0.549036
C -1.401744 -0.233072 -0.754349
C -0.006878 0.412747 1.081940
C -0.044983 -0.536077 -1.048899
C -1.840525 -1.650470 2.205907
C -1.500692 2.766335 -0.624715
C -2.413003 -0.560857 -1.669572
C 0.316698 -1.188295 -2.243201
C 2.210095 -0.233947 0.083608
C -2.894097 -2.374558 3.064132
C -2.077376 4.192916 -0.583161
C -2.066243 -1.207866 -2.886112
C -0.713656 -1.518703 -3.159137
C 2.978801 0.206405 -1.023483
C 2.857379 -0.726946 1.242782
C 4.387160 0.130603 -0.976494
C 4.266593 -0.786279 1.285223
C 5.037879 -0.366148 0.176819
H -3.373527 -0.514084 1.141215
H -2.586027 0.347365 2.488292
H -1.714457 2.404429 1.499017
H -3.109778 1.888526 0.502057
H -0.951062 -1.429304 2.820771
H -1.782955 2.276519 -1.581706
H -3.461925 -0.324306 -1.451855
H 1.354573 -1.459897 -2.453967
H -3.796402 -2.615485 2.468441
H -2.475191 -3.318115 3.453540
H -3.207852 -1.751288 3.922367
H -1.777166 4.700183 0.351272
H -1.712397 4.795725 -1.436811
H -3.182028 4.177210 -0.635744
H -2.844899 -1.470138 -3.610347
H -0.452901 -2.031016 -4.092169
H -1.995483 -2.682981 0.460688
H 0.352415 3.343561 -1.235287
H 2.476698 0.627910 -1.900016
H 2.258300 -1.051456 2.096783
H 4.975767 0.472031 -1.835528
H 4.761968 -1.166764 2.185247
H 6.131461 -0.419728 0.212888


