%chk=000005092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005092

0 1
 O   -2.226900      0.1355000     -0.3387000    
 O   -2.263700      -2.542000      0.4049000    
 O    6.029300      0.6346000      0.4693000    
 N    4.102300       1.843500     -8.1200004E-02
 C   -2.389400       1.275800      0.4955000    
 C   -3.663800       1.127400       1.312300    
 C   -2.663400       2.513100     -0.3458000    
 C   -4.783700       1.521100      0.3500000    
 C   -4.135000       2.385500     -0.7314000    
 C    2.666700      6.9700003E-02 -0.5753000    
 C    2.704900       1.567300     -0.2638000    
 C    3.871000     -0.4560000      0.2297000    
 C    1.348300     -0.6250000     -0.3143000    
 C   -1.057500     -0.5658000     -0.2045000    
 C   0.1512000      7.8699999E-02 -0.4465000    
 C    4.836500      0.7037000      0.2175000    
 C    1.329900      -1.968900      5.9200000E-02
 C   -1.082700      -1.905600      0.1680000    
 C   0.1145000      -2.609100      0.3003000    
 C   -2.888200      -3.183500     -0.7053000    
 H   -1.529200       1.427000       1.159400    
 H   -3.652000       1.823800       2.159100    
 H   -3.810700      0.1135000       1.697300    
 H   -2.026900       2.578200      -1.233300    
 H   -2.520100       3.418300      0.2559000    
 H   -5.583300       2.056100      0.8724000    
 H   -5.229700      0.6290000     -0.1047000    
 H   -4.231700       1.893000      -1.706100    
 H   -4.613600       3.366700     -0.8119000    
 H    2.894700     -6.3100003E-02  -1.643400    
 H    2.317800       2.182900      -1.081000    
 H    2.189900       1.826600      0.6676000    
 H    4.325200      -1.332100     -0.2422000    
 H    3.617000     -0.6804000       1.271500    
 H   0.1497000       1.118600     -0.7598000    
 H    4.503900       2.775300     -0.1122000    
 H    2.245000      -2.545300      0.1569000    
 H   0.1073000      -3.656900      0.5885000    
 H   -3.126400      -2.455200      -1.486900    
 H   -3.819000      -3.640100     -0.3578000    
 H   -2.241400      -3.969500      -1.107900    


%chk=000005092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005092

0 1
O -2.292322 -0.139078 0.560055
O -2.073480 -2.961047 0.403778
O 6.238592 0.716447 -0.105595
N 4.210563 1.806845 0.419231
C -2.426918 1.338649 0.685614
C -3.811070 1.585632 1.309675
C -2.521800 2.005916 -0.705505
C -4.823367 1.525548 0.124634
C -3.973350 1.706385 -1.179690
C 2.617573 0.309155 -0.495504
C 2.765603 1.532878 0.473986
C 3.996938 -0.392437 -0.382337
C 1.384486 -0.553014 -0.239474
C -1.041970 -0.686059 0.229539
C 0.135032 0.070672 0.020535
C 4.980783 0.739260 -0.030721
C 1.434679 -1.964884 -0.295957
C -0.980210 -2.113458 0.146031
C 0.260825 -2.728409 -0.109928
C -3.310359 -2.737205 -0.371997
H -1.597676 1.716009 1.315143
H -3.809373 2.589550 1.774217
H -4.024119 0.848324 2.101727
H -1.757890 1.636755 -1.410835
H -2.366155 3.095836 -0.581746
H -5.595777 2.308838 0.221969
H -5.347753 0.554133 0.111996
H -3.988034 0.776586 -1.775277
H -4.362848 2.513910 -1.823973
H 2.546110 0.726684 -1.521689
H 2.179841 2.408145 0.139403
H 2.436104 1.261895 1.498012
H 4.320084 -0.904961 -1.301997
H 4.014806 -1.131024 0.442465
H 0.087788 1.163208 0.066519
H 4.643207 2.657262 0.781032
H 2.379175 -2.478541 -0.499253
H 0.282336 -3.821886 -0.153637
H -3.734777 -1.741614 -0.162077
H -3.998692 -3.529857 -0.040877
H -3.109784 -2.844648 -1.456195


