%chk=000052943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052943

0 1
 O   0.2039000       2.268000      0.7275000    
 O   0.2894000      -2.361400      0.5597000    
 O   -2.127500      1.1000000E-02  -1.033700    
 N  -0.1542000     -5.8800001E-02  0.7973000    
 N   -3.800400     -4.0800001E-02  0.5789000    
 C    1.858400      0.6967000      8.4399998E-02
 C    1.882800     -0.6892000      3.4600001E-02
 C   -1.513000     -0.1008000       1.300100    
 C   0.5433000       1.109500      0.5730000    
 C   0.5836000      -1.182500      0.4907000    
 C    2.945500       1.460000     -0.2885000    
 C    2.995800      -1.384900     -0.3909000    
 C   -2.484400     -5.3300001E-02  0.1400000    
 C    4.084900      0.7765000     -0.7224000    
 C    4.109800     -0.6322000     -0.7733000    
 C   -4.933300      5.1500000E-02 -0.3140000    
 C   -4.484800      0.1306000      -1.763500    
 H   -1.668300      -1.030200       1.857700    
 H   -1.686900      0.7632000       1.949800    
 H    2.926600       2.542800     -0.2500000    
 H    3.015200      -2.467700     -0.4304000    
 H   -3.990800     -9.2600003E-02   1.575300    
 H    4.965400       1.336900      -1.025900    
 H    5.009100      -1.137900      -1.115300    
 H   -5.560700     -0.8292000     -0.1465000    
 H   -5.505800      0.9407000     -3.3100002E-02
 H   -3.912300       1.037200      -1.985000    
 H   -3.968200     -0.7737000      -2.101300    
 H   -5.383200      0.1986000      -2.390400    


%chk=000052943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052943

0 1
O 0.205397 2.310783 0.955581
O 0.216355 -2.387676 0.690858
O -1.973438 0.045221 -1.054546
N -0.097536 -0.046811 0.960424
N -3.765320 -0.004793 0.483510
C 1.944848 0.712970 0.149569
C 1.947616 -0.701463 0.068851
C -1.488516 -0.072848 1.365826
C 0.628282 1.154946 0.710078
C 0.633391 -1.209640 0.576039
C 3.052244 1.471057 -0.257703
C 3.057773 -1.403991 -0.422017
C -2.432857 -0.002664 0.119145
C 4.180030 0.769823 -0.758792
C 4.182689 -0.645940 -0.839837
C -4.980528 0.036142 -0.371036
C -4.739117 0.097098 -1.889618
H -1.672735 -1.011758 1.919063
H -1.676642 0.792273 2.027324
H 3.037917 2.563420 -0.191587
H 3.047542 -2.496827 -0.480717
H -3.954616 -0.042792 1.488989
H 5.062021 1.328282 -1.090343
H 5.066639 -1.159645 -1.232802
H -5.586817 -0.863002 -0.137589
H -5.578739 0.918546 -0.064453
H -4.172397 0.995010 -2.179156
H -4.178048 -0.778139 -2.250674
H -5.725536 0.120421 -2.389588


