%chk=000059662.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059662

0 1
 O   0.7336000      0.4299000      -1.270200    
 N   -3.157400     -0.3568000      0.2262000    
 N    1.651900      -1.010300      0.3009000    
 C   -4.265600      0.3471000     -0.4031000    
 C   -3.728200      0.7840000      0.9282000    
 C   -1.893700      7.1999999E-03 -0.4022000    
 C  -0.7348000     -0.7104000      0.2817000    
 C   0.6074000     -0.3508000     -0.3305000    
 C    3.026200     -0.8327000     -0.1029000    
 C    3.618600      0.2994000      0.6684000    
 C    4.142000       1.393400      0.1035000    
 H   -5.208700     -0.1828000     -0.4189000    
 H   -4.065500      0.9662000      -1.268000    
 H   -3.177800       1.713800      0.9851000    
 H   -4.310000      0.5455000       1.809400    
 H   -1.917100     -0.3102000      -1.454000    
 H   -1.693500       1.087900     -0.4219000    
 H  -0.8645000      -1.797300      0.2091000    
 H  -0.7017000     -0.4443000       1.345700    
 H    1.455700      -1.628400       1.083200    
 H    3.560700      -1.759600      0.1267000    
 H    3.072600     -0.6660000      -1.184500    
 H    3.636500      0.2166000       1.752400    
 H    4.565300       2.180100      0.7184000    
 H    4.156800       1.524300     -0.9728000    


%chk=000059662-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059662

0 1
O 0.690511 0.866720 -1.109787
N -3.224100 -0.431661 0.292828
N 1.610454 -0.843771 0.176575
C -4.466425 0.075719 -0.395696
C -3.855290 0.862415 0.754801
C -1.957599 -0.279474 -0.477646
C -0.768324 -0.279448 0.503356
C 0.558713 -0.027414 -0.217539
C 2.981257 -0.669256 -0.347804
C 3.916591 -0.014193 0.656133
C 4.525027 1.181078 0.460602
H -5.369679 -0.521316 -0.236802
H -4.362967 0.503862 -1.402740
H -3.347255 1.803953 0.501412
H -4.314822 0.833660 1.747654
H -1.880360 -1.141105 -1.166782
H -1.917445 0.650731 -1.089829
H -0.758176 -1.228405 1.070834
H -0.915571 0.537670 1.237226
H 1.444978 -1.539893 0.905270
H 3.375040 -1.660457 -0.648876
H 2.889964 -0.042802 -1.250915
H 4.095564 -0.567653 1.591223
H 5.197536 1.613465 1.210486
H 4.361180 1.763376 -0.454084


