%chk=000130248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130248

0 1
 O    2.898800      4.6399999E-02   1.468000    
 O   0.9690000     -0.1714000      -1.456500    
 O    5.085300      0.2784000      0.8208000    
 O   0.6309000     -0.1573000       2.902800    
 O   -3.328900      -2.368200     -0.1905000    
 O   -3.214200       2.416500     -1.0200000E-02
 O   -4.533700      7.6700002E-02 -0.6849000    
 N    1.657900     -0.1297000      0.8092000    
 C    3.305900      1.3900000E-02 -0.8296000    
 C    3.822600      -1.247500      -1.513800    
 C    3.602700       1.270000      -1.641600    
 C    1.823700     -0.1062000     -0.5861000    
 C    3.904300      0.1325000      0.5493000    
 C    3.549800      -2.484200     -0.6779000    
 C    3.169300       2.522800     -0.9038000    
 C   0.5625000     -0.1345000       1.676000    
 C  -0.7729000     -7.9000004E-02   1.059000    
 C   -1.371700       1.153700      0.8128000    
 C   -1.429700      -1.260000      0.7228000    
 C   -2.694100      -1.207800      0.1362000    
 C   -2.636300       1.205800      0.2263000    
 C   -3.297500      2.5000000E-02 -0.1120000    
 C   -3.094200      -2.889400      -1.497200    
 C   -2.954000       3.022900      -1.274600    
 C   -5.655300      7.0699997E-02  0.1953000    
 H    4.903400      -1.171900      -1.686500    
 H    3.349100      -1.371400      -2.495600    
 H    3.089100       1.230900      -2.610100    
 H    4.676900       1.342500      -1.852300    
 H    3.935400      -3.366400      -1.201300    
 H    2.480600      -2.654000     -0.5191000    
 H    4.048200      -2.452200      0.2955000    
 H    2.096900       2.528500     -0.6861000    
 H    3.716400       2.669200      3.2299999E-02
 H    3.372100       3.399900      -1.528600    
 H  -0.8581000       2.075500       1.075200    
 H  -0.9613000      -2.222300      0.9148000    
 H   -3.671700      -3.811400      -1.607100    
 H   -3.422800      -2.177400      -2.260800    
 H   -2.033200      -3.122400      -1.632200    
 H   -3.486500       3.977100      -1.313200    
 H   -1.882800       3.214400      -1.394700    
 H   -3.315700       2.387100      -2.088800    
 H   -6.565200      0.1156000     -0.4094000    
 H   -5.675000     -0.8490000      0.7884000    
 H   -5.631400      0.9430000      0.8560000    


%chk=000130248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130248

0 1
O 2.950799 -0.312549 1.568239
O 1.328052 0.013164 -1.626754
O 5.181891 0.233994 1.280442
O 0.871077 -1.908280 2.165438
O -3.961881 -2.513835 0.649474
O -2.632099 2.034048 -0.804502
O -4.689369 0.028541 -0.488241
N 1.755292 -0.306962 0.694538
C 3.605003 0.344218 -0.669460
C 4.358857 -0.609589 -1.652742
C 3.834427 1.835177 -1.083102
C 2.108706 0.012983 -0.647469
C 4.068498 0.111355 0.761376
C 4.215488 -2.111208 -1.329691
C 3.143693 2.874855 -0.177182
C 0.649508 -1.070242 1.260815
C -0.697718 -0.754149 0.718230
C -1.019931 0.502237 0.149040
C -1.694887 -1.753831 0.842638
C -3.014750 -1.506203 0.417189
C -2.334265 0.756767 -0.275558
C -3.356316 -0.225862 -0.116190
C -4.798256 -2.939808 -0.496097
C -3.007305 2.025755 -2.240273
C -5.353695 1.120919 0.272816
H 5.425729 -0.317488 -1.637419
H 3.965310 -0.400749 -2.665051
H 3.471692 1.936657 -2.123289
H 4.927447 2.005802 -1.089312
H 4.777664 -2.711422 -2.066457
H 3.160737 -2.438518 -1.372367
H 4.614437 -2.356326 -0.328628
H 2.045243 2.750211 -0.172950
H 3.502044 2.813016 0.866390
H 3.358614 3.894838 -0.541322
H -0.275108 1.291372 0.026091
H -1.453428 -2.720332 1.293542
H -5.464408 -3.713524 -0.086112
H -5.380701 -2.093745 -0.895296
H -4.159888 -3.375487 -1.288492
H -3.209785 3.077074 -2.494217
H -2.165968 1.643508 -2.847507
H -3.907595 1.407284 -2.408271
H -6.353088 1.218821 -0.176589
H -5.440170 0.831327 1.335457
H -4.784999 2.061588 0.175025


