%chk=000085812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085812

0 1
 O   -3.625300       1.318900     -0.2423000    
 N   -1.197400     -0.1292000      8.8699996E-02
 N  -5.2700002E-02  -3.327500      0.5586000    
 C   -1.210400       1.234900     -0.4576000    
 C   -2.461200     -0.8097000     -0.2263000    
 C  -5.8300000E-02 -0.8845000     -0.4286000    
 C   -2.413800       1.999100      8.7200001E-02
 C   -3.635400      2.7999999E-03  0.3119000    
 C    1.258900     -0.1715000     -0.1877000    
 C    1.420400      0.5694000      0.9682000    
 C    2.264300     -0.2804000      -1.130100    
 C  -5.5100001E-02  -2.250600      0.1256000    
 C    2.631500       1.225100       1.189600    
 C    3.475400      0.3753000     -0.9086000    
 C    3.659100       1.128000      0.2513000    
 H   -1.283400       1.196300      -1.553300    
 H  -0.3319000       1.835200     -0.2139000    
 H   -2.522300      -1.802000      0.2325000    
 H   -2.572400     -0.9283000      -1.312400    
 H  -0.1807000     -0.9780000      -1.518700    
 H   -2.351000       2.132500       1.174100    
 H   -2.460300       2.994300     -0.3667000    
 H   -4.579700     -0.4708000      2.4800001E-02
 H   -3.615800      6.6500001E-02   1.406800    
 H   0.6520000      0.6389000       1.732400    
 H    2.132400     -0.8652000      -2.035600    
 H    2.777300       1.805400       2.096000    
 H    4.275800      0.2990000      -1.638800    
 H    4.602700       1.637000      0.4247000    


%chk=000085812-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085812

0 1
O -3.751708 1.343749 -0.256575
N -1.231072 -0.084534 -0.009737
N -0.019803 -3.291615 0.705223
C -1.313771 1.219973 -0.725385
C -2.525879 -0.814774 -0.129864
C -0.057699 -0.885523 -0.471606
C -2.467277 2.053235 -0.145121
C -3.657793 0.052424 0.443499
C 1.274479 -0.174232 -0.181529
C 1.538436 0.325914 1.117151
C 2.248210 -0.037887 -1.196988
C -0.055992 -2.216111 0.190773
C 2.767788 0.961038 1.393153
C 3.481328 0.596799 -0.919789
C 3.743309 1.096845 0.375778
H -1.483483 1.068274 -1.820966
H -0.363346 1.767070 -0.596547
H -2.466206 -1.759663 0.439793
H -2.755994 -1.063103 -1.195796
H -0.111130 -1.087604 -1.574628
H -2.256493 2.284428 0.921248
H -2.596890 2.991414 -0.709122
H -4.636114 -0.434656 0.300696
H -3.480225 0.223901 1.526841
H 0.772850 0.220284 1.893385
H 2.046943 -0.427122 -2.202777
H 2.969185 1.345676 2.399063
H 4.232121 0.699648 -1.710840
H 4.698923 1.587052 0.592465


