%chk=000063704.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063704

0 1
 O  -0.1285000      -2.064300      0.2041000    
 N   0.3713000      0.2376000      0.1871000    
 N   -1.417700       1.800100      4.8200000E-02
 N    1.818500     -2.2200000E-02  -2.263700    
 C    1.786000     -1.5300000E-02  0.1792000    
 C   -1.926300     -0.5897000      0.1078000    
 C  -0.1519000       1.532300      0.1481000    
 C  -0.4808000     -0.8871000      0.1911000    
 C   -2.331200      0.7418000      1.5000000E-02
 C    2.478700     -0.1396000      -1.019800    
 C    2.449300     -0.1332000       1.395900    
 C   -2.868100      -1.625500      9.6299998E-02
 C   0.7663000       2.729800      0.2847000    
 C   -3.697200       1.028900     -8.9599997E-02
 C    3.851800     -0.3850000      -1.002500    
 C   -4.225600      -1.325800     -7.7000000E-03
 C    3.822400     -0.3787000       1.413300    
 C   -4.640500      3.9999999E-04 -0.1018000    
 C    4.523600     -0.5046000      0.2142000    
 H    1.912400     -3.6600001E-02   2.335800    
 H   -2.565300      -2.666600      0.1645000    
 H    1.494400       2.735500     -0.5309000    
 H    1.300200       2.678300       1.237600    
 H   0.1956000       3.662400      0.2508000    
 H   -4.035800       2.060000     -0.1588000    
 H    4.410600     -0.4852000      -1.929500    
 H   -4.959400      -2.126500     -1.7000001E-02
 H    4.345400     -0.4716000       2.360600    
 H   -5.697900      0.2348000     -0.1827000    
 H    5.592600     -0.6956000      0.2278000    
 H    2.339700     -0.1144000      -3.125400    
 H   0.8237000      0.1576000      -2.290800    


%chk=000063704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063704

0 1
O -0.041229 -2.101470 0.011484
N 0.340633 0.221797 0.100516
N -1.461442 1.828971 0.100822
N 1.901108 0.035930 -2.278350
C 1.777803 -0.014058 0.170190
C -1.962717 -0.606699 0.047135
C -0.166699 1.546465 0.115902
C -0.524090 -0.934501 0.050685
C -2.380593 0.762388 0.073665
C 2.526519 -0.105072 -1.040890
C 2.404372 -0.154651 1.423233
C -2.926833 -1.648528 0.017343
C 0.832626 2.676625 0.139262
C -3.771387 1.062503 0.070723
C 3.933096 -0.311218 -0.942535
C -4.296438 -1.337260 0.015496
C 3.797265 -0.362811 1.509584
C -4.716143 0.023501 0.042345
C 4.554408 -0.434814 0.314635
H 1.788468 -0.107450 2.328259
H -2.569781 -2.683506 -0.001845
H 1.520996 2.621329 -0.723407
H 1.455680 2.650657 1.050656
H 0.274593 3.623101 0.105466
H -4.070040 2.114867 0.091936
H 4.529539 -0.380280 -1.860403
H -5.042562 -2.138542 -0.005747
H 4.280774 -0.473551 2.484744
H -5.785709 0.261364 0.041148
H 5.637137 -0.597121 0.362981
H 2.430628 -0.116168 -3.132332
H 0.886318 0.010204 -2.340803


