%chk=000052778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052778

0 1
 O  -0.7264000      -1.561900     -1.7600000E-02
 O    5.300700      0.3864000      1.9800000E-02
 N   -2.609200      0.4430000     -2.5000000E-02
 N   -4.610800     -6.5600000E-02  0.7354000    
 C   -1.190100      0.8023000     -1.5000000E-02
 C  -0.2476000     -0.4096000     -1.3700000E-02
 C    1.192200     -0.2035000     -6.0000001E-03
 C   -3.365800      0.2537000      -1.131600    
 C    1.710700       1.091300      1.9999999E-04
 C    2.054300      -1.300100     -4.0000002E-03
 C   -3.378800      0.2456000       1.072200    
 C    3.091400       1.289600      8.1000002E-03
 C    3.435100      -1.101700      4.1000000E-03
 C    3.953600      0.1931000      1.0100000E-02
 C   -4.609300     -6.2700003E-02 -0.6370000    
 H   -1.015200       1.409300     -0.9097000    
 H   -1.026000       1.402800      0.8861000    
 H   -2.984100      0.3511000      -2.138300    
 H    1.078300       1.973300     -7.9999998E-04
 H    1.675400      -2.318700     -8.5000005E-03
 H   -3.006400      0.3359000       2.083500    
 H    3.483300       2.303200      1.3200000E-02
 H    4.101800      -1.959700      6.0000001E-03
 H   -5.503400     -0.2887000      -1.199500    
 H    5.481900       1.342000      2.3399999E-02


%chk=000052778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052778

0 1
O -0.750176 -1.579867 -0.218597
O 5.394234 0.302943 0.043734
N -2.638979 0.474335 -0.005998
N -4.746952 0.109549 0.753790
C -1.221970 0.813929 0.004050
C -0.279377 -0.415714 -0.096790
C 1.190547 -0.157542 -0.054448
C -3.385880 0.018989 -1.101329
C 1.750617 1.143078 0.078741
C 2.073306 -1.273259 -0.151682
C -3.505176 0.502512 1.090284
C 3.145347 1.327727 0.114874
C 3.463535 -1.103876 -0.117385
C 4.001599 0.201212 0.016347
C -4.677558 -0.194530 -0.617595
H -0.992878 1.505164 -0.830537
H -1.001296 1.360077 0.940172
H -2.942346 -0.131446 -2.081688
H 1.107785 2.026213 0.155259
H 1.631684 -2.269903 -0.253429
H -3.184480 0.813281 2.082517
H 3.565785 2.336055 0.218212
H 4.149049 -1.952675 -0.190816
H -5.550985 -0.548741 -1.159743
H 5.690165 1.242891 0.137457


