%chk=000115558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115558

0 1
 O  -0.4247000      -1.126600       2.194300    
 O   0.1248000     -0.1044000      -2.327500    
 O   -4.036300     -0.1069000     -0.4258000    
 N   -2.214400     -0.4850000      0.9228000    
 N   -1.934200      6.0999999E-03  -1.348100    
 C   5.5700000E-02  7.3500000E-02  0.1180000    
 C    1.487100     -0.5612000      0.2006000    
 C   0.1139000       1.615400      0.4473000    
 C    2.571000      0.2252000     -0.5593000    
 C    1.198000       2.331900     -0.3823000    
 C    2.576700       1.707700     -0.2154000    
 C    1.521600      -2.034500     -0.2365000    
 C  -0.8550000     -0.5932000       1.171400    
 C  -0.5478000     -4.3800000E-02  -1.299500    
 C   0.3197000       1.932200       1.940300    
 C    2.857300      -2.666000      8.8299997E-02
 C   -2.813500     -0.1705000     -0.2886000    
 H    1.790500     -0.5388000       1.257400    
 H  -0.8451000       2.076800      0.1725000    
 H    2.456200      0.1042000      -1.641900    
 H    3.567600     -0.1595000     -0.3161000    
 H    1.245000       3.391600     -0.1029000    
 H   0.9213000       2.315700      -1.443400    
 H    3.292900       2.228200     -0.8619000    
 H    2.931100       1.846500      0.8125000    
 H    1.329200      -2.140500      -1.309400    
 H   0.7401000      -2.601200      0.2812000    
 H    1.198000       1.429900       2.355400    
 H   0.4480000       3.009700       2.092600    
 H  -0.5520000       1.635400       2.532100    
 H    3.654900      -2.309600     -0.5698000    
 H    3.150100      -2.487400       1.127800    
 H    2.796000      -3.750600     -5.4400001E-02
 H   -2.838300     -0.7649000       1.674500    
 H   -2.352800      9.2000000E-02  -2.270000    


%chk=000115558-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000115558

0 1
O -0.376045 -1.028534 2.265157
O 0.123912 0.035928 -2.376402
O -4.073618 -0.293324 -0.435800
N -2.191271 -0.527497 0.935510
N -1.935985 -0.033358 -1.352347
C 0.096974 0.092550 0.107792
C 1.532071 -0.539828 0.185894
C 0.122025 1.673228 0.455774
C 2.606769 0.277416 -0.578225
C 1.190857 2.381062 -0.418414
C 2.598737 1.780336 -0.220719
C 1.515223 -2.030891 -0.259457
C -0.800943 -0.560903 1.178123
C -0.522443 -0.001774 -1.297678
C 0.339275 1.953042 1.963738
C 2.798839 -2.800166 0.122118
C -2.826157 -0.271550 -0.291777
H 1.787621 -0.528364 1.264827
H -0.874370 2.079072 0.182729
H 2.444004 0.160069 -1.664729
H 3.599605 -0.149932 -0.343910
H 1.187903 3.457209 -0.156625
H 0.917568 2.308001 -1.488037
H 3.324210 2.318219 -0.860137
H 2.931519 1.926873 0.826185
H 1.363849 -2.083529 -1.355158
H 0.654517 -2.543473 0.215227
H 1.226652 1.437991 2.367123
H 0.481656 3.039830 2.106838
H -0.525964 1.644089 2.574414
H 3.689761 -2.399083 -0.393365
H 2.980997 -2.748591 1.211933
H 2.710530 -3.866853 -0.154126
H -2.803906 -0.826099 1.701496
H -2.361772 0.046234 -2.281774


