%chk=000048425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048425

0 1
 O   -1.340800       1.628800     -3.5000001E-03
 O   -5.199300     -0.7037000      -1.060600    
 O   -1.487800      -3.004600      0.3094000    
 O    2.537200       1.515800     -0.3756000    
 O    5.237800       1.355200      0.2016000    
 N   -1.390600     -0.6719000      0.3487000    
 N   -3.346700      -1.827100     -0.3070000    
 C   -3.507200      0.5705000      0.1159000    
 C   -4.035000       1.806700     -0.6292000    
 C   -3.973100      0.6313000       1.582100    
 C   -1.979700      0.5827000      0.1230000    
 C   -4.104700     -0.6840000     -0.4998000    
 C   3.3300001E-02 -0.7040000      0.6611000    
 C   -3.688100       1.743400      -2.100500    
 C   -3.447800       1.873600       2.265400    
 C   -2.033200      -1.909200      0.1502000    
 C   0.9050000     -0.8066000     -0.5881000    
 C    2.379500     -0.8679000     -0.2735000    
 C    3.122900      0.2993000     -0.1835000    
 C    2.967000      -2.109300     -7.8599997E-02
 C    4.484700      0.2238000      0.1083000    
 C    4.328800      -2.184900      0.2131000    
 C    5.087800      -1.018200      0.3065000    
 C    2.592100       2.438600      0.7095000    
 C    5.857900       1.821600     -0.9951000    
 H   -5.124000       1.891900     -0.5245000    
 H   -3.607100       2.737900     -0.2427000    
 H   -3.629400     -0.2499000       2.138900    
 H   -5.069200      0.6190000       1.638500    
 H   0.2306000      -1.554300       1.325600    
 H   0.2930000      0.1998000       1.226100    
 H   -3.778600      -2.704800     -0.5826000    
 H   -4.016300       2.667400      -2.590200    
 H   -4.184500      0.9227000      -2.624500    
 H   -2.612200       1.655800      -2.277400    
 H   -3.773100       1.860500       3.312800    
 H   -3.845600       2.799400       1.842800    
 H   -2.356600       1.928400       2.291200    
 H   0.6248000      -1.698100      -1.165700    
 H   0.6987000      3.1599998E-02  -1.266100    
 H    2.384800      -3.023900     -0.1465000    
 H    4.798300      -3.151900      0.3683000    
 H    6.148100      -1.084600      0.5349000    
 H    3.422200       3.136000      0.5674000    
 H    2.677600       1.935300       1.679000    
 H    1.662200       3.015000      0.7073000    
 H    6.563900       1.076800      -1.375900    
 H    5.105300       2.049900      -1.756300    
 H    6.407500       2.737400     -0.7614000    


%chk=000048425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048425

0 1
O -1.145600 1.456078 0.564655
O -5.280854 -0.487287 -0.967281
O -1.564457 -3.134397 -0.156516
O 2.623478 1.382765 -0.852615
O 5.346521 1.401505 0.094595
N -1.361079 -0.841843 0.307462
N -3.404759 -1.759137 -0.518669
C -3.422308 0.631497 0.198026
C -3.761004 1.957236 -0.540664
C -4.034593 0.628280 1.669637
C -1.899669 0.470386 0.338297
C -4.114601 -0.547542 -0.499401
C 0.083600 -1.025108 0.624162
C -3.285830 1.998438 -2.008308
C -3.607963 1.804727 2.568935
C -2.075132 -1.985160 -0.113762
C 0.977864 -0.978446 -0.645328
C 2.445987 -0.985176 -0.251848
C 3.209781 0.210982 -0.313043
C 3.064713 -2.163315 0.240637
C 4.572113 0.218984 0.105706
C 4.406007 -2.149308 0.680273
C 5.161687 -0.957568 0.614254
C 2.285829 2.425326 0.149122
C 5.589140 1.987182 -1.244854
H -4.857597 2.088427 -0.499226
H -3.291688 2.784230 0.018148
H -3.769816 -0.329835 2.160094
H -5.133672 0.632197 1.540513
H 0.190612 -1.996928 1.132614
H 0.364815 -0.214546 1.314498
H -3.892272 -2.581889 -0.889038
H -3.558008 2.965451 -2.467386
H -3.758234 1.202344 -2.611361
H -2.187468 1.897134 -2.079667
H -4.026380 1.657703 3.581399
H -3.987510 2.768595 2.189506
H -2.511236 1.884290 2.658070
H 0.741548 -1.855845 -1.274637
H 0.755036 -0.060350 -1.213949
H 2.485403 -3.093901 0.276643
H 4.867923 -3.065270 1.063971
H 6.205740 -0.917605 0.940644
H 3.162485 2.650189 0.783168
H 1.425157 2.097554 0.760193
H 1.999995 3.312983 -0.436153
H 6.194593 1.291852 -1.857383
H 4.636131 2.209047 -1.756171
H 6.155971 2.912277 -1.059163


