%chk=000048759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048759

0 1
 O  -0.7887000     -0.1190000     -0.1105000    
 O    2.087500     -0.8155000       2.157200    
 O    2.064300      0.1012000      -2.448200    
 O   0.8574000       3.319100      0.5925000    
 N    1.379000       1.218400       1.367500    
 N    1.366700       1.676300     -0.9331000    
 C    1.553000     -0.6586000     -0.2029000    
 C   0.1145000      -1.197200     -0.3026000    
 C    2.542800      -1.809100     -0.4369000    
 C    1.729100     -0.1144000       1.211300    
 C    1.716100      0.3859000      -1.302500    
 C  -0.1451000      -2.273900      0.7321000    
 C   -2.141600     -0.5490000     -0.1906000    
 C   -3.050500      0.6552000      2.4300000E-02
 C    3.968400      -1.344300     -0.2415000    
 C   -4.549000      0.3152000     -1.8999999E-02
 C    1.162500       2.148600      0.3578000    
 C   -4.900300     -0.3151000      -1.368600    
 C   -4.966100     -0.6237000       1.113800    
 H  -4.5100000E-02  -1.611300      -1.308000    
 H    2.431700      -2.222300      -1.447100    
 H    2.415200      -2.643700      0.2555000    
 H  -0.3072000      -1.860100       1.733700    
 H   -1.055800      -2.832100      0.4828000    
 H   0.6142000      -3.052400      0.7963000    
 H   -2.366200      -1.270800      0.5962000    
 H   -2.310200      -1.004300      -1.171200    
 H   -2.805700       1.126600      0.9850000    
 H   -2.821500       1.414000     -0.7354000    
 H    4.228500     -0.5101000     -0.9002000    
 H    4.185600      -1.045300      0.7874000    
 H    4.655200      -2.164200     -0.4810000    
 H   -5.109000       1.252800      8.5699998E-02
 H    1.354400       1.572800       2.319500    
 H    1.333300       2.368200      -1.676600    
 H   -5.988400     -0.3948000      -1.472600    
 H   -4.494000      -1.325600      -1.478100    
 H   -4.535200      0.2990000      -2.198500    
 H   -4.535800      -1.624200       1.005600    
 H   -6.055700     -0.7378000       1.129400    
 H   -4.660300     -0.2211000       2.085000    


%chk=000048759-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048759

0 1
O -0.842337 -0.430591 0.290014
O 2.022261 -0.764835 2.357568
O 1.262768 -0.110378 -2.405978
O 1.301652 3.453956 0.566582
N 1.631379 1.304717 1.421917
N 1.344571 1.634131 -0.897826
C 1.507520 -0.735451 -0.046612
C 0.128543 -1.501875 -0.022466
C 2.679373 -1.719077 -0.362931
C 1.741035 -0.092251 1.330444
C 1.363785 0.268004 -1.209162
C 0.030434 -2.685236 0.949349
C -2.243006 -0.753624 -0.042135
C -3.045432 0.544936 0.110341
C 4.042978 -1.023213 -0.552648
C -4.574771 0.402377 -0.135632
C 1.405573 2.216142 0.379087
C -4.901505 -0.058426 -1.577966
C -5.261375 -0.513083 0.908535
H -0.041356 -1.851633 -1.065411
H 2.412310 -2.273120 -1.281647
H 2.746905 -2.437675 0.471812
H 0.250765 -2.378849 1.984062
H -0.987216 -3.112785 0.909855
H 0.732818 -3.488356 0.665083
H -2.620794 -1.538396 0.644120
H -2.286370 -1.141586 -1.082477
H -2.873838 0.932863 1.133458
H -2.626686 1.292672 -0.590954
H 4.025402 -0.314711 -1.400408
H 4.350882 -0.476712 0.357713
H 4.823215 -1.774909 -0.765879
H -4.997959 1.421057 -0.009112
H 1.720132 1.714031 2.357523
H 1.203447 2.286425 -1.675749
H -5.990446 -0.017241 -1.764717
H -4.575624 -1.101133 -1.753432
H -4.402801 0.583900 -2.327697
H -4.956698 -1.569773 0.786876
H -6.360958 -0.473514 0.799676
H -5.010577 -0.203378 1.940323


