%chk=000096801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096801

0 1
 O  -0.2330000       2.603100      0.6514000    
 O   -2.207800       2.582800     -0.4493000    
 O    1.427600      0.4468000      -1.565500    
 N   0.2027000      3.7000000E-03  0.3550000    
 N    3.448500      -1.178200     -0.6268000    
 C   -2.244700     -0.3309000      0.4450000    
 C   -2.185100      -1.871600      0.3359000    
 C   -1.068900      0.4716000     -0.1323000    
 C   -2.084200      -2.269300      -1.141700    
 C   -1.029800      -2.501100       1.110900    
 C   -1.248900       1.974400      1.3300000E-02
 C    1.363400      2.9400000E-02 -0.4110000    
 C    2.561500     -0.5369000      0.3404000    
 C    3.298800      0.5762000       1.074600    
 H   -2.350200     -7.3200002E-02   1.508200    
 H   -3.172900      1.6300000E-02 -2.9100001E-02
 H   -3.125200      -2.265800      0.7419000    
 H   -1.055000      0.3178000      -1.219400    
 H   -2.889100      -1.811400      -1.726300    
 H   -1.127400      -1.978000      -1.586500    
 H   -2.176400      -3.356000      -1.247300    
 H   -1.229200      -3.570000       1.253700    
 H  -7.3799998E-02  -2.444100      0.5848000    
 H  -0.9270000      -2.059000       2.106800    
 H   0.2780000     -0.2207000       1.342800    
 H    2.224000      -1.294300       1.056300    
 H    2.641500       1.055400       1.808700    
 H    3.638700       1.358100      0.3855000    
 H    4.172100      0.1874000       1.609200    
 H    4.255400      -1.568900     -0.1412000    
 H    3.823500     -0.4800000      -1.268700    
 H  -0.3755000       3.572400      0.7022000    


%chk=000096801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096801

0 1
O -0.720718 2.554857 1.321823
O -2.204836 2.594226 -0.465206
O 1.256207 -0.729104 -1.287473
N 0.337362 0.223219 0.627709
N 3.426027 -1.595272 0.178553
C -2.145504 -0.373303 0.569791
C -2.169426 -1.866196 0.127425
C -0.970144 0.506012 0.025353
C -2.124300 -2.022816 -1.412133
C -1.092366 -2.746907 0.807196
C -1.365318 1.971248 0.214917
C 1.380806 -0.325239 -0.087509
C 2.731567 -0.391809 0.652697
C 3.505247 0.941913 0.404523
H -2.146531 -0.313115 1.677242
H -3.082581 0.101430 0.216965
H -3.158353 -2.238253 0.473759
H -0.866447 0.330379 -1.059971
H -2.880200 -1.384651 -1.908484
H -1.126621 -1.760574 -1.810036
H -2.328032 -3.071394 -1.697375
H -1.297706 -3.815469 0.608433
H -0.081895 -2.530449 0.422859
H -1.084735 -2.604362 1.904595
H 0.498895 0.550338 1.582252
H 2.535827 -0.480628 1.742052
H 2.960492 1.818091 0.805337
H 3.663603 1.090870 -0.678586
H 4.492906 0.897856 0.899972
H 4.425668 -1.625609 0.392693
H 3.203001 -1.809998 -0.800381
H -1.040294 3.490707 1.432509


