%chk=000036109.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036109

0 1
 O  -0.4399000      0.6436000       1.120800    
 O  -0.7250000      -1.576500      0.3778000    
 N   -3.497200     -0.9514000     -0.1935000    
 C   -2.641800     -0.1478000      0.6790000    
 C   -1.173300     -0.2214000      0.2304000    
 C   -3.433500     -0.4566000      -1.568300    
 C   -4.877100     -0.9387000      0.2908000    
 C   0.2245000       1.714500      0.5865000    
 C   0.5778000      -1.881900      9.0800002E-02
 C  -0.4844000       2.690000     -0.1069000    
 C    1.074300      -1.653500      -1.188400    
 C    1.603000       1.817700      0.7413000    
 C    1.394500      -2.418600       1.080900    
 C   0.1928000       3.780800     -0.6519000    
 C    2.402000      -1.965400      -1.480900    
 C    2.280100       2.908700      0.1963000    
 C    2.722200      -2.730400      0.7882000    
 C    1.575000       3.890300     -0.5002000    
 C    3.225900      -2.503800     -0.4927000    
 H   -2.976500      0.8966000      0.7213000    
 H   -2.705400     -0.5362000       1.704500    
 H   -1.037700      0.1067000     -0.8052000    
 H   -2.481800     -0.7023000      -2.048600    
 H   -3.604400      0.6242000      -1.634200    
 H   -4.193800     -0.9498000      -2.186500    
 H   -5.509600      -1.584100     -0.3289000    
 H   -5.306800      6.9700003E-02  0.2899000    
 H   -4.931700      -1.336200       1.310500    
 H   -1.561300       2.622600     -0.2280000    
 H   0.4418000      -1.246800      -1.972200    
 H    2.156400       1.055700       1.282600    
 H    1.006500      -2.595700       2.079900    
 H  -0.3562000       4.545800      -1.193100    
 H    2.793600      -1.791400      -2.479000    
 H    3.356400       2.993800      0.3142000    
 H    3.363900      -3.149300       1.557700    
 H    2.102200       4.739800     -0.9243000    
 H    4.259500      -2.747000     -0.7205000    


%chk=000036109-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036109

0 1
O -0.942423 1.736148 0.904388
O -0.460332 -0.580941 0.774633
N -3.206800 -0.844886 -0.500909
C -2.736354 0.308639 0.299977
C -1.222202 0.522848 0.159915
C -4.461694 -0.583913 -1.236966
C -3.266170 -2.107658 0.270189
C 0.296908 2.396599 0.730282
C 0.331624 -1.412807 -0.055768
C 1.350304 1.933637 -0.093473
C -0.079237 -1.815843 -1.349835
C 0.425298 3.606664 1.452612
C 1.547241 -1.876282 0.499798
C 2.529813 2.707596 -0.197077
C 0.759870 -2.674431 -2.097285
C 1.608862 4.363891 1.341395
C 2.364731 -2.745132 -0.253896
C 2.668528 3.920575 0.513001
C 1.980480 -3.141528 -1.558361
H -3.222651 1.233257 -0.059514
H -2.974975 0.211795 1.382299
H -0.924134 0.623770 -0.904049
H -4.349817 0.311714 -1.873191
H -5.346187 -0.429882 -0.569778
H -4.684382 -1.442293 -1.896508
H -3.441757 -2.954760 -0.416904
H -4.081197 -2.104163 1.035693
H -2.308806 -2.273932 0.788111
H 1.282207 0.986892 -0.636199
H -1.058881 -1.501026 -1.729867
H -0.405676 3.932514 2.085870
H 1.831947 -1.542743 1.502429
H 3.345822 2.347986 -0.833918
H 0.445998 -2.990463 -3.098679
H 1.702999 5.300900 1.901497
H 3.306792 -3.105292 0.174521
H 3.587795 4.509392 0.427464
H 2.621459 -3.811145 -2.141798


