%chk=000099758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099758

0 1
 O    4.253900       1.280000     -0.2420000    
 O   -1.077400      -2.012100      0.3240000    
 N  -0.1819000      0.1009000      1.9200001E-02
 N    1.089800     -0.3605000      8.1000000E-02
 C   -2.588300     -0.2366000      5.4299999E-02
 C   -3.644500      -1.035700     -0.3837000    
 C   -2.818300       1.094800      0.4011000    
 C   -1.247800     -0.7918000      0.1500000    
 C   -4.930500     -0.5033000     -0.4753000    
 C   -4.104500       1.627100      0.3095000    
 C    3.429800      0.2454000     -5.4499999E-02
 C   -5.160500      0.8279000     -0.1287000    
 C    4.056300     -0.9266000      0.1366000    
 C    1.989200      0.5536000     -8.6999997E-02
 C    5.433500     -0.6086000      6.3600004E-02
 C    5.501100      0.7455000     -0.1680000    
 H   -3.485600      -2.074200     -0.6626000    
 H   -2.030500       1.742800      0.7739000    
 H   -5.752800      -1.125000     -0.8171000    
 H   -4.285500       2.661900      0.5855000    
 H   -6.162100       1.242100     -0.1986000    
 H    3.616600      -1.898500      0.3083000    
 H  -0.3068000       1.089600     -0.1726000    
 H    1.727000       1.613600     -0.2637000    
 H    6.272000      -1.282100      0.1668000    
 H    6.316700       1.442000     -0.2978000    


%chk=000099758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099758

0 1
O 4.362197 1.286709 -0.285189
O -1.083096 -2.074293 0.167773
N -0.198429 0.090474 -0.061169
N 1.113094 -0.329533 0.037117
C -2.628588 -0.202018 0.020193
C -3.706443 -1.022687 -0.401978
C -2.890184 1.136769 0.417712
C -1.259625 -0.831803 0.061726
C -5.017559 -0.507580 -0.454163
C -4.205323 1.649565 0.369918
C 3.442983 0.228005 -0.064852
C -5.270298 0.832062 -0.073403
C 4.149112 -0.945805 0.200003
C 2.047113 0.583426 -0.159864
C 5.551366 -0.619107 0.145256
C 5.645236 0.734401 -0.149536
H -3.490211 -2.060702 -0.675023
H -2.088545 1.773590 0.812150
H -5.841978 -1.147188 -0.787226
H -4.400839 2.678905 0.689604
H -6.289635 1.231767 -0.110571
H 3.695543 -1.912748 0.404764
H -0.418278 1.070746 -0.293152
H 1.833792 1.643553 -0.400133
H 6.385837 -1.299296 0.303462
H 6.471659 1.424988 -0.291220


