%chk=000053496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053496

0 1
 O    3.661100      -2.868700     -2.4599999E-02
 O   -5.491400     -0.3281000      0.2378000    
 N   0.8620000      0.7442000      5.6699999E-02
 C    2.183400      0.3967000      1.7400000E-02
 C    3.320900       1.350700     -2.2600001E-02
 C    2.270400     -0.9797000      2.2500001E-02
 C   0.3520000       2.099300      7.7500001E-02
 C    4.546600      0.6307000     -0.6088000    
 C   9.9100001E-02 -0.3975000      7.9499997E-02
 C    4.789400     -0.7403000      4.3200001E-02
 C   0.9492000      -1.484400      5.7999998E-02
 C    3.558500      -1.645300     -1.2300000E-02
 C   -1.346800     -0.3800000      0.1204000    
 C   0.7075000       2.864200      -1.199000    
 C   0.7933000       2.857700       1.330600    
 C   -2.005500     -0.3690000       1.347300    
 C   -2.073900     -0.3739000      -1.067600    
 C   -3.399700     -0.3518000       1.386900    
 C   -3.468200     -0.3566000      -1.028200    
 C   -4.131200     -0.3456000      0.1991000    
 C   -6.176700     -0.3226000      -1.013800    
 H    3.147700       2.231400     -0.6336000    
 H    3.558700       1.677600      0.9960000    
 H  -0.7405000       2.045400      0.1142000    
 H    4.394600      0.4855000      -1.686900    
 H    5.436100       1.260000     -0.4922000    
 H    5.066400     -0.6151000       1.096200    
 H    5.613700      -1.245600     -0.4717000    
 H   0.6498000      -2.523900      6.8200000E-02
 H    1.644300       3.420800      -1.130000    
 H  -6.3800000E-02   3.620500      -1.390400    
 H   0.7437000       2.210100      -2.076600    
 H   0.6033000       2.269000       2.235000    
 H   0.2293000       3.793300       1.418400    
 H    1.851900       3.127400       1.319400    
 H   -1.449300     -0.3722000       2.281700    
 H   -1.570400     -0.3810000      -2.031400    
 H   -3.910500     -0.3427000       2.345900    
 H   -3.973800     -0.3521000      -1.987800    
 H   -5.978900      -1.236100      -1.584900    
 H   -5.956100      0.5828000      -1.589200    
 H   -7.249500     -0.3087000     -0.7949000    


%chk=000053496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053496

0 1
O 3.521510 -2.920498 -0.728731
O -5.632425 -0.241326 0.215194
N 0.942474 0.888921 0.130592
C 2.269808 0.475748 0.024321
C 3.522820 1.285821 0.243578
C 2.272821 -0.903137 -0.294922
C 0.451120 2.294701 0.247848
C 4.712412 0.586334 -0.467315
C 0.089377 -0.233235 -0.127856
C 4.802093 -0.918318 -0.115847
C 0.905373 -1.333916 -0.399258
C 3.503746 -1.687809 -0.421664
C -1.386210 -0.191817 -0.064764
C 0.799116 3.128082 -1.008792
C 0.908332 2.961749 1.564112
C -2.093674 0.364722 1.043232
C -2.150867 -0.794088 -1.097845
C -3.496716 0.336965 1.102726
C -3.561132 -0.842432 -1.047334
C -4.238983 -0.265826 0.055329
C -6.444253 -0.878137 -0.824918
H 3.428000 2.321935 -0.127992
H 3.741388 1.361280 1.330770
H -0.648008 2.209510 0.278733
H 4.592113 0.695998 -1.562642
H 5.655134 1.094025 -0.188148
H 5.011922 -1.036997 0.968566
H 5.629073 -1.411318 -0.656858
H 0.570481 -2.351653 -0.587685
H 1.882574 3.313994 -1.104618
H 0.293071 4.109055 -0.953501
H 0.454227 2.612417 -1.921934
H 0.633174 2.342054 2.436158
H 0.417773 3.946127 1.670666
H 1.998892 3.125218 1.589563
H -1.535195 0.783161 1.888763
H -1.628030 -1.225522 -1.958542
H -4.038891 0.754958 1.956286
H -4.110771 -1.317785 -1.865247
H -6.210480 -1.956930 -0.913720
H -6.301030 -0.385204 -1.806272
H -7.485458 -0.750423 -0.494635


