%chk=000093498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093498

0 1
 O    2.187900      0.1861000     -0.1027000    
 O   -2.341700      -2.160000      1.8900000E-02
 O    5.441500       1.466900     -4.7100000E-02
 O    3.540400       2.342100     -0.7097000    
 N   -2.827900     -0.1094000     -0.9633000    
 N    4.190900       1.370900     -0.2221000    
 C   -5.058900      0.1529000      4.4500001E-02
 C   -4.899200       1.650000      0.3187000    
 C   -4.237300     -0.3145000      -1.152300    
 C   -5.775100       2.098600       1.478200    
 C   -1.990300      -1.057500     -0.3884000    
 C  -0.5761000     -0.5875000     -0.3156000    
 C    1.751300      -1.026900      0.2934000    
 C   0.3675000      -1.390100      0.1995000    
 C    2.766600      -1.803800      0.7675000    
 C    3.527700      0.1917000      0.1229000    
 C    3.932700      -1.009300      0.6576000    
 H   -4.764700     -0.4125000      0.9375000    
 H   -6.115100     -7.3100001E-02 -0.1450000    
 H   -5.167900       2.222700     -0.5766000    
 H   -3.855300       1.885600      0.5545000    
 H   -4.529800      0.2329000      -2.054600    
 H   -4.422800      -1.379400      -1.331000    
 H   -5.511500       1.566100       2.397600    
 H   -5.646600       3.170600       1.657600    
 H   -6.833000       1.914500       1.265100    
 H   -2.442300      0.7795000      -1.268600    
 H  -0.3438000      0.4032000     -0.6928000    
 H   0.1005000      -2.378800      0.5645000    
 H    2.697900      -2.813600       1.147600    
 H    4.940400      -1.284400      0.9355000    


%chk=000093498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093498

0 1
O 2.265171 0.164023 -0.059994
O -2.275541 -2.305828 -0.181992
O 5.614165 1.416137 0.175924
O 3.649074 2.475475 -0.388384
N -2.836206 -0.126809 -0.821570
N 4.331278 1.436120 -0.032774
C -5.133254 0.199664 0.175187
C -5.106991 1.743775 0.245491
C -4.276429 -0.397221 -0.967460
C -6.027175 2.301084 1.353223
C -1.931859 -1.103700 -0.426362
C -0.520234 -0.629036 -0.317510
C 1.858865 -1.169493 0.194748
C 0.466265 -1.502162 0.052430
C 2.984409 -1.928149 0.556867
C 3.645125 0.190394 0.154775
C 4.122810 -1.062185 0.531715
H -4.794659 -0.228000 1.138876
H -6.178696 -0.138903 0.025500
H -5.414506 2.160645 -0.736091
H -4.069922 2.092971 0.428778
H -4.618104 0.003869 -1.942259
H -4.383208 -1.495402 -0.987217
H -5.723018 1.923282 2.347174
H -5.996931 3.405300 1.387016
H -7.077095 1.995689 1.185516
H -2.496318 0.821953 -0.988329
H -0.281729 0.420117 -0.535326
H 0.177788 -2.540788 0.258685
H 2.974388 -2.986532 0.809080
H 5.158536 -1.302791 0.755581


