%chk=000028855.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028855

0 1
 O   -1.498300       1.963800      0.4029000    
 O    2.615400     -0.1707000      0.2414000    
 O   0.7016000      -1.711300      -1.145700    
 O    6.058800     -0.7420000      7.1300000E-02
 O    4.382900      -2.053200      0.6277000    
 N  -0.1365000       2.240000      0.3928000    
 N    4.819400     -0.9272000      0.2488000    
 C  -0.4833000      4.6200000E-02 -0.1109000    
 C   -1.685200      0.6565000      0.1017000    
 C   0.4493000       1.079700      8.3499998E-02
 C   -3.062500      0.2274000      7.5900003E-02
 C    1.914900      0.9627000     -2.6600000E-02
 C  -0.2766000      -1.329900     -0.4513000    
 C    2.763000       1.975000     -0.4117000    
 C   -3.662900     -0.2600000       1.236700    
 C   -3.793600      0.3002000      -1.109600    
 C    4.068000       1.428500     -0.3779000    
 C    3.924700      0.1213000      2.5100000E-02
 C   -1.253400      -2.416600      2.2100000E-02
 C   -4.994500     -0.6745000       1.211900    
 C   -5.125300     -0.1143000      -1.134400    
 C   -5.725800     -0.6017000      2.6300000E-02
 H    2.489500       2.984300     -0.6871000    
 H   -3.107000     -0.3219000       2.169300    
 H   -3.339700      0.6775000      -2.022900    
 H    4.994100       1.931100     -0.6194000    
 H   -2.149200      -2.411900     -0.6021000    
 H   -1.503600      -2.265700       1.074800    
 H  -0.7697000      -3.394300     -6.8599999E-02
 H   -5.462100      -1.053900       2.115700    
 H   -5.694600     -5.7799999E-02  -2.057600    
 H   -6.762600     -0.9245000      7.0000002E-03


%chk=000028855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028855

0 1
O -1.555059 1.868652 1.014634
O 2.417875 -0.226040 0.014441
O 0.245426 -0.952611 -2.070721
O 5.897543 -0.952558 -0.404704
O 4.076720 -2.350411 -0.245234
N -0.131511 2.152690 1.016449
N 4.627467 -1.182040 -0.264943
C -0.568925 0.143608 -0.102853
C -1.789551 0.646350 0.347524
C 0.415107 1.113908 0.323444
C -3.187582 0.227082 0.236156
C 1.856111 1.058106 0.155105
C -0.292551 -1.080570 -0.938940
C 2.864759 2.022875 0.123796
C -4.143807 0.692659 1.182167
C -3.610098 -0.628229 -0.819696
C 4.108465 1.331129 -0.052541
C 3.793289 -0.022444 -0.113176
C -0.616837 -2.432523 -0.331397
C -5.491095 0.293406 1.081307
C -4.959156 -1.026377 -0.911166
C -5.903113 -0.570810 0.038941
H 2.712046 3.096202 0.206665
H -3.821792 1.359318 1.988208
H -2.898367 -0.950644 -1.586999
H 5.106452 1.753974 -0.129329
H -1.558150 -2.419863 0.244210
H 0.198117 -2.689529 0.374507
H -0.649878 -3.206883 -1.113793
H -6.219674 0.653841 1.814993
H -5.275881 -1.679815 -1.730711
H -6.951151 -0.879651 -0.037244


