%chk=000051035.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051035

0 1
 O    3.300500     -0.4864000     -1.9999999E-04
 O    1.928000      -2.205000      6.0000003E-04
 O   -3.629000      0.6413000     -1.9999999E-04
 O   -2.884300      -1.428300     -7.9999998E-04
 N    2.147900     -0.9732000     -9.9999997E-05
 N  -0.4903000      -1.984500      1.9999999E-04
 N   -2.692700     -0.1905000       0.000000    
 C    1.249700       1.294700     -1.9999999E-04
 C    1.033500     -8.3400004E-02 -1.9999999E-04
 C  -0.2681000     -0.5851000      9.9999997E-05
 C   -1.353300      0.2914000      3.9999999E-04
 C   0.1646000       2.171000      3.0000001E-04
 C   -1.136900       1.669400      5.0000002E-04
 C    2.630300       1.868600     -5.0000002E-04
 H   0.3132000       3.247700      3.9999999E-04
 H   -1.954100       2.386200      7.9999998E-04
 H    3.182400       1.621600      0.9125000    
 H    3.182200       1.621300     -0.9136000    
 H    2.580100       2.965900     -6.9999998E-04
 H   -1.423300      -2.367400      1.5000000E-03
 H   0.2728000      -2.643100     -2.4999999E-03


%chk=000051035-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051035

0 1
O 3.420996 -0.549769 0.001540
O 2.024735 -2.323599 -0.000096
O -3.697618 0.744250 0.000630
O -3.063378 -1.438338 0.000006
N 2.222572 -1.026475 -0.000534
N -0.516139 -2.019543 -0.000491
N -2.776567 -0.159302 0.000353
C 1.297532 1.299282 -0.000280
C 1.071757 -0.114695 -0.000420
C -0.278947 -0.682614 -0.000284
C -1.375849 0.266271 0.000166
C 0.164144 2.154002 0.000080
C -1.142637 1.653934 0.000339
C 2.652548 1.977453 -0.000548
H 0.325601 3.235034 0.000152
H -2.008056 2.321529 0.000641
H 3.257871 1.690444 0.876167
H 3.257770 1.690020 -0.877191
H 2.516334 3.071230 -0.000804
H -1.502943 -2.315133 0.000022
H 0.303474 -2.641779 -0.001146


