%chk=000086012.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086012

0 1
 O   0.8297000      0.6213000     -0.9504000    
 N   -3.182000      0.3825000     -0.5116000    
 C   -2.582300     -0.9631000     -0.5881000    
 C   -2.548300      0.9526000      0.6924000    
 C   -2.582400      -1.465700      0.8598000    
 C   -2.559900     -0.1933000       1.710400    
 C   -1.152000     -0.7694000      -1.129200    
 C   -1.114400       1.343400      0.2831000    
 C  -0.3040000      0.1466000     -0.2342000    
 C   -4.639500      0.3481000     -0.4214000    
 C    2.060300      0.2789000     -0.4548000    
 C    2.407400      -1.062400     -0.3394000    
 C    2.949000       1.276800     -7.0900001E-02
 C    3.659900      -1.410400      0.1664000    
 C    4.201600      0.9288000      0.4347000    
 C    4.557000     -0.4148000      0.5533000    
 H   -3.129200      -1.635500      -1.258600    
 H   -3.067300       1.842200       1.066300    
 H   -1.733600      -2.120700       1.081600    
 H   -3.497900      -2.030400       1.072700    
 H   -3.464900     -0.1518000       2.328200    
 H   -1.699400     -0.1689000       2.387000    
 H  -0.6554000      -1.742000      -1.231100    
 H   -1.194500     -0.3537000      -2.145300    
 H   -1.151300       2.125300     -0.4879000    
 H  -0.5880000       1.794800       1.133500    
 H   1.1100000E-02 -0.4331000      0.6448000    
 H   -5.061000     -9.3000002E-02  -1.331300    
 H   -5.035100       1.367700     -0.3549000    
 H   -5.018700     -0.2180000      0.4356000    
 H    1.724700      -1.849000     -0.6463000    
 H    2.675600       2.324300     -0.1609000    
 H    3.937700      -2.456400      0.2566000    
 H    4.900100       1.704000      0.7362000    
 H    5.532500     -0.6858000      0.9465000    


%chk=000086012-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086012

0 1
O 0.875713 1.133833 -0.063724
N -3.177765 0.389327 -0.568819
C -2.360483 -0.864281 -0.643161
C -2.812302 0.895783 0.794059
C -2.558554 -1.563739 0.755021
C -2.864055 -0.372632 1.727254
C -0.886112 -0.446970 -0.881949
C -1.385486 1.494184 0.700279
C -0.368603 0.409365 0.298286
C -4.630737 0.171683 -0.760524
C 2.104307 0.456255 -0.043123
C 2.285455 -0.901109 0.328468
C 3.225694 1.241728 -0.416573
C 3.587840 -1.454153 0.328887
C 4.515089 0.675730 -0.414244
C 4.707573 -0.677741 -0.040317
H -2.706829 -1.492392 -1.482366
H -3.521883 1.680580 1.108709
H -1.664980 -2.139419 1.057214
H -3.404610 -2.272798 0.718634
H -3.864366 -0.479476 2.183247
H -2.133782 -0.301960 2.553242
H -0.251896 -1.340652 -1.031019
H -0.840936 0.163253 -1.801740
H -1.385468 2.284288 -0.071002
H -1.085430 1.949947 1.662141
H -0.153078 -0.234679 1.175929
H -4.805410 -0.218229 -1.779134
H -5.154079 1.140870 -0.677691
H -5.101586 -0.536064 -0.035940
H 1.438392 -1.530636 0.615557
H 3.059325 2.286169 -0.698555
H 3.719888 -2.503096 0.618777
H 5.373422 1.292526 -0.703950
H 5.711235 -1.115596 -0.039073


