%chk=000022722.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022722

0 1
 O    3.115900       2.081400      1.7000000E-03
 N    3.324700     -0.2669000     -9.9999997E-05
 C   -2.089100      -1.918100      6.0000003E-04
 C  -0.5980000      -1.653300      9.9999997E-05
 C  -0.3424000     -0.2635000     -3.9999999E-04
 C   -2.652300     -0.5122000      9.9999997E-05
 C   -1.607500      0.4391000     -3.9999999E-04
 C   0.9580000      0.2125000     -6.9999998E-04
 C   0.4317000      -2.577900      3.9999999E-04
 C   -3.981300     -0.1267000      3.9999999E-04
 C   -1.890500       1.794800     -6.0000003E-04
 C    2.003100     -0.7164000     -6.0000003E-04
 C    1.742400      -2.097600       0.000000    
 C   -4.266300       1.239900      1.9999999E-04
 C   -3.231300       2.191000     -1.9999999E-04
 C    3.788000       1.055100     -6.0000003E-04
 C    5.294800       1.118800      9.9999997E-05
 H   -2.387100      -2.454600      0.9060000    
 H   -2.387500      -2.455400     -0.9043000    
 H    1.094000       1.283400     -1.1000000E-03
 H   0.2320000      -3.643600      1.0000000E-03
 H   -4.780700     -0.8593000      7.9999998E-04
 H   -1.103300       2.541200     -1.0000000E-03
 H    2.563400      -2.811400      3.0000001E-04
 H   -5.300300       1.574400      3.9999999E-04
 H   -3.478600       3.249500     -3.0000001E-04
 H    4.032500     -0.9984000      1.9999999E-04
 H    5.683900      0.6485000      0.9075000    
 H    5.621700       2.161900     -2.8000001E-02
 H    5.688900      0.6004000     -0.8785000    


%chk=000022722-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022722

0 1
O 3.198063 2.094074 -0.004126
N 3.382852 -0.248683 -0.002266
C -2.127097 -1.940036 0.000667
C -0.626811 -1.672738 -0.000094
C -0.376368 -0.267510 -0.000478
C -2.720114 -0.534331 0.000673
C -1.673270 0.437842 -0.000013
C 0.934144 0.253591 -0.001231
C 0.452605 -2.572581 -0.000476
C -4.067125 -0.132220 0.001216
C -1.974471 1.818032 -0.000176
C 2.017656 -0.664032 -0.001606
C 1.771882 -2.067819 -0.001260
C -4.369549 1.253211 0.001063
C -3.330796 2.218193 0.000372
C 3.908310 1.046373 -0.002293
C 5.438617 1.086457 0.001953
H -2.445568 -2.521440 0.888745
H -2.446405 -2.521766 -0.886894
H 1.139284 1.325409 -0.001764
H 0.286011 -3.655638 -0.000190
H -4.875648 -0.872685 0.001746
H -1.175070 2.567370 -0.000733
H 2.619791 -2.765515 -0.001560
H -5.414812 1.582596 0.001482
H -3.582961 3.284631 0.000251
H 4.067386 -1.008831 -0.001936
H 5.848809 0.619780 0.916894
H 5.759993 2.137196 -0.031562
H 5.859463 0.557669 -0.873405


