%chk=000021608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021608

0 1
 O   -1.873000      0.9576000       1.198800    
 N   -1.244100     -0.3198000     -0.6415000    
 C    1.817800      0.5012000      6.9200002E-02
 C   0.7588000     -0.3732000      0.8129000    
 C  -0.3121000      -1.199900      4.2800002E-02
 C    2.296100       1.684200      0.9311000    
 C    1.120000       1.104200      -1.174300    
 C    3.032200     -0.3003000     -0.4181000    
 C   0.2820000      -2.189100     -0.9632000    
 C   -1.121000      -2.004600       1.080900    
 C   -1.940600      0.6814000      3.8999999E-03
 C   -2.816200       1.458400     -0.9424000    
 H   0.2712000      0.2639000       1.558500    
 H    1.330600      -1.082600       1.431200    
 H    2.786900       1.322600       1.841400    
 H    1.457700       2.321000       1.235000    
 H    3.013500       2.312400      0.3912000    
 H   0.2827000       1.751800     -0.9018000    
 H   0.8132000      0.3749000      -1.923600    
 H    1.826900       1.761100      -1.700600    
 H    3.757900      0.3481000     -0.9228000    
 H    3.546700     -0.7730000      0.4260000    
 H    2.761600      -1.088400      -1.123800    
 H  -0.4972000      -2.848600      -1.365600    
 H    1.036800      -2.826800     -0.4900000    
 H   0.7387000      -1.706100      -1.829200    
 H  -0.4936000      -2.768900       1.554700    
 H   -1.524300      -1.382000       1.885600    
 H   -1.969000      -2.518000      0.6117000    
 H   -1.407200     -0.4675000      -1.633900    
 H   -3.336900       2.250500     -0.3973000    
 H   -2.206600       1.910900      -1.729400    
 H   -3.557300      0.7918000      -1.392500    


%chk=000021608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021608

0 1
O -2.114166 0.949790 1.151021
N -1.316698 -0.338251 -0.631688
C 1.853460 0.526706 0.004337
C 0.778159 -0.292146 0.799834
C -0.313984 -1.176340 0.103629
C 2.471862 1.527269 1.026177
C 1.256595 1.350446 -1.168449
C 3.007913 -0.369557 -0.526744
C 0.248056 -2.182256 -0.930148
C -1.052202 -1.972968 1.218591
C -2.122216 0.642137 -0.082776
C -3.041721 1.340384 -1.091642
H 0.217575 0.414500 1.441049
H 1.328485 -0.965907 1.489630
H 2.895570 0.992908 1.897849
H 1.707600 2.233559 1.400231
H 3.284680 2.114109 0.557428
H 0.424577 1.991108 -0.823419
H 0.877458 0.704773 -1.981771
H 2.036554 2.007104 -1.601010
H 3.812025 0.258816 -0.955978
H 3.450649 -0.967207 0.292999
H 2.677494 -1.067172 -1.314834
H -0.549770 -2.871381 -1.266342
H 1.050529 -2.786331 -0.474880
H 0.667729 -1.677088 -1.819012
H -0.350435 -2.665732 1.718237
H -1.472729 -1.284254 1.969200
H -1.878438 -2.564397 0.783739
H -1.380816 -0.485812 -1.641204
H -3.648422 2.085080 -0.556083
H -2.455480 1.856095 -1.875566
H -3.717692 0.619215 -1.587503


