%chk=000119499.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119499

0 1
 O   -3.046500      -1.905300      1.0300000E-02
 O    3.587500      0.8680000      5.5999998E-03
 N    1.906800     -0.7853000     -2.7999999E-03
 N   -4.129300      0.1162000     -2.7999999E-03
 C   0.7203000     -5.1100001E-02 -2.6000000E-03
 C   -1.694600      2.3300000E-02 -1.8000000E-03
 C  -0.5087000     -0.7110000     -3.5000001E-03
 C   0.7633000       1.343100      9.9999997E-05
 C   -1.651700       1.417500      8.9999998E-04
 C  -0.4226000       2.077400      2.0999999E-03
 C   -2.976200     -0.6637000     -3.7000000E-03
 C    3.222400     -0.3032000     -3.0000001E-04
 C    4.229400      -1.425900     -1.4000000E-03
 H  -0.5313000      -1.798500     -5.7000001E-03
 H    1.674900       1.924000      6.9999998E-04
 H   -2.530400       2.051100      2.9000000E-03
 H  -0.3892000       3.163200      4.1999999E-03
 H    1.791900      -1.796700     -4.9000001E-03
 H    4.112500      -2.027600      0.9042000    
 H    5.242500      -1.015200     -2.7300000E-02
 H    4.080500      -2.057300     -0.8819000    
 H   -4.163800       1.127200     -9.7000003E-03
 H   -5.036500     -0.3398000      2.9000000E-03


%chk=000119499-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119499

0 1
O -2.958801 -1.970905 0.005249
O 3.630120 0.849428 -0.003780
N 1.915120 -0.755601 -0.004025
N -4.188262 -0.014626 -0.007030
C 0.746527 0.056137 -0.000914
C -1.715175 0.119259 0.002781
C -0.504704 -0.607292 -0.000294
C 0.787875 1.477446 0.001569
C -1.673046 1.538387 0.005616
C -0.425388 2.196953 0.005035
C -2.984888 -0.699897 0.003414
C 3.257296 -0.359386 -0.004668
C 4.240983 -1.529688 -0.002162
H -0.578695 -1.702284 -0.001648
H 1.753074 1.986272 0.000846
H -2.586595 2.143453 0.009611
H -0.390321 3.291813 0.007458
H 1.742858 -1.764154 -0.005155
H 4.130316 -2.142594 0.911519
H 5.263460 -1.127868 -0.035369
H 4.087904 -2.187280 -0.877751
H -4.253859 0.999707 -0.015319
H -5.044598 -0.566878 -0.009483


