%chk=000014615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014615

0 1
 O   0.7684000      -1.675500      0.5426000    
 N   -3.197900      0.3573000     -5.5900000E-02
 N  -0.5861000      -1.982700      0.4961000    
 C   -2.605700     -0.9424000     -0.3700000    
 C   -2.967100      0.6984000       1.347400    
 C   -4.630100      0.3512000     -0.3516000    
 C   -1.118800     -0.9531000     -0.1340000    
 C   -3.586900       2.046600       1.654700    
 C   -4.847500      5.6800000E-02  -1.822000    
 C  -0.2142000      2.4400000E-02 -0.5139000    
 C   0.9773000     -0.4781000     -6.1799999E-02
 C    2.338200     -2.6100000E-02 -9.1600001E-02
 C    2.662300       1.195700     -0.6916000    
 C    3.353300     -0.8024000      0.4779000    
 C    3.985600       1.635600     -0.7219000    
 C    4.676500     -0.3623000      0.4477000    
 C    4.992700      0.8567000     -0.1522000    
 H   -2.717100      -1.192800      -1.431000    
 H   -3.087100      -1.744800      0.2059000    
 H   -3.379500     -5.8899999E-02   2.026400    
 H   -1.899000      0.7879000       1.570400    
 H   -5.179500     -0.3719000      0.2639000    
 H   -5.076200       1.336800     -0.1869000    
 H   -3.336200       2.798700      0.8984000    
 H   -4.674300       1.997300       1.769100    
 H   -3.198200       2.413900       2.611800    
 H   -4.192600      0.6564000      -2.464000    
 H   -4.715900      -1.002100      -2.064900    
 H   -5.879900      0.3056000      -2.094700    
 H  -0.3879000      0.9531000      -1.037300    
 H    1.900200       1.825200      -1.144000    
 H    3.147400      -1.757900      0.9543000    
 H    4.232200       2.584700      -1.188800    
 H    5.461100     -0.9684000      0.8912000    
 H    6.023000       1.199200     -0.1756000    


%chk=000014615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014615

0 1
O 0.832156 -1.730378 0.806857
N -3.304975 0.188998 0.094135
N -0.597227 -2.073444 0.837423
C -2.682788 -1.141766 -0.130890
C -3.302891 0.559347 1.539118
C -4.654727 0.285650 -0.527690
C -1.190871 -1.104274 0.096846
C -3.434283 2.075412 1.772737
C -4.611355 0.408439 -2.062907
C -0.250383 -0.143513 -0.407621
C 0.996655 -0.556141 0.046849
C 2.358829 -0.038159 -0.096464
C 2.602587 1.139338 -0.856714
C 3.454270 -0.701894 0.522991
C 3.912295 1.641205 -0.992238
C 4.762236 -0.195070 0.383588
C 4.998235 0.977112 -0.372949
H -2.866646 -1.433259 -1.181150
H -3.123526 -1.943545 0.510409
H -4.106153 0.014101 2.096801
H -2.340922 0.220468 1.965412
H -5.300657 -0.581665 -0.234513
H -5.140848 1.189493 -0.120269
H -2.625157 2.610282 1.245494
H -4.399968 2.475688 1.414373
H -3.361988 2.301749 2.852609
H -3.995238 1.276010 -2.356994
H -4.189738 -0.491215 -2.546884
H -5.632413 0.548844 -2.463541
H -0.501531 0.728188 -1.004494
H 1.768281 1.659847 -1.339827
H 3.267773 -1.607886 1.107802
H 4.087531 2.548848 -1.579995
H 5.598300 -0.713773 0.865161
H 6.015636 1.369063 -0.479363


