%chk=000012213.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012213

0 1
 O    2.344400      -1.397500      0.1714000    
 N  -0.1649000     -0.2767000      0.2204000    
 N   0.9471000      0.4454000     -3.2800000E-02
 N    3.214000      0.6720000     -0.3130000    
 C   -2.545300     -0.4628000      0.5340000    
 C   -1.302200      0.3507000      0.2253000    
 C   -3.184700     -0.9646000     -0.7474000    
 C   -1.482800       1.830900     -1.9099999E-02
 C    2.174400     -0.1974000     -3.8699999E-02
 H   -2.268100      -1.313000       1.167300    
 H   -3.251300      0.1532000       1.100300    
 H   -3.481100     -0.1304000      -1.391800    
 H   -2.488400      -1.591000      -1.314900    
 H   -4.075900      -1.558300     -0.5227000    
 H   -1.079100       2.098000     -0.9995000    
 H  -0.9699000       2.397900      0.7625000    
 H   -2.543200       2.096400     -2.7000001E-03
 H   0.8694000       1.440300     -0.2070000    
 H    4.174400      0.3477000     -0.3520000    
 H    3.050800       1.658600     -0.4835000    


%chk=000012213-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012213

0 1
O 2.510542 -1.339314 0.404431
N -0.112206 -0.303775 0.287242
N 1.015749 0.455127 -0.003782
N 3.325149 0.745712 -0.247743
C -2.493936 -0.586109 0.522240
C -1.289838 0.283573 0.215582
C -3.393610 -0.832602 -0.717663
C -1.508830 1.745062 -0.156200
C 2.295633 -0.145462 0.078607
H -2.125395 -1.549816 0.914021
H -3.098750 -0.108153 1.320425
H -3.772937 0.114131 -1.146237
H -2.829598 -1.362876 -1.505292
H -4.267673 -1.451151 -0.444447
H -1.160588 1.968955 -1.185749
H -0.971763 2.427018 0.535062
H -2.578375 2.003514 -0.108624
H 0.936782 1.442294 -0.280444
H 4.271198 0.375871 -0.208120
H 3.186047 1.717401 -0.517208


