%chk=000030506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030506

0 1
 O   -1.138200      -2.782500       1.110200    
 O   -1.136800      -2.799700      -1.092200    
 N  -0.8926000      -2.295200      5.2000000E-03
 C   -1.053200      0.1093000     -3.9999999E-04
 C  -0.2559000      -1.007600     -4.4000000E-03
 C    1.213700     -0.9944000     -4.0000002E-03
 C   -2.499600     -4.4300001E-02 -1.3000000E-03
 C  -0.4384000       1.479900      1.0000000E-03
 C    3.988200     -0.9679000     -2.7999999E-03
 C    1.895400     -0.9930000       1.204300    
 C    1.896400     -0.9829000      -1.211700    
 C    5.479500     -0.9528000     -1.8000000E-03
 C    3.290200     -0.9795000       1.204800    
 C    3.291300     -0.9695000      -1.211200    
 C   -3.192400     -0.1170000      -1.209900    
 C  -0.1732000       2.072000       1.209700    
 C   -3.194100     -0.1187000       1.206100    
 C  -0.1716000       2.073800      -1.206400    
 C    6.046000      0.4646000      4.8000002E-03
 C   -4.579500     -0.2639000      -1.211000    
 C   0.3974000       3.344700       1.211000    
 C   -4.581300     -0.2658000       1.204900    
 C   0.3991000       3.346600      -1.204900    
 C   -5.273800     -0.3384000     -3.7000000E-03
 C   0.6836000       3.982000      3.8999999E-03
 H    1.364300      -1.001000       2.152600    
 H    1.365800     -0.9833000      -2.160400    
 H    5.858900      -1.500400      0.8700000    
 H    5.859800      -1.492500     -0.8782000    
 H    3.821400     -0.9761000       2.153000    
 H    3.823300     -0.9583000      -2.158800    
 H   -2.667000     -6.1500002E-02  -2.160400    
 H  -0.3915000       1.582700       2.154100    
 H   -2.670100     -6.4599998E-02   2.157300    
 H  -0.3887000       1.586100      -2.151900    
 H    5.721300       1.025000     -0.8784000    
 H    7.140100      0.4341000      5.2999998E-03
 H    5.720300       1.017100      0.8927000    
 H   -5.118800     -0.3209000      -2.152000    
 H   0.6196000       3.839200       2.152100    
 H   -5.122100     -0.3241000       2.145000    
 H   0.6225000       3.842600      -2.144900    
 H   -6.353800     -0.4532000     -4.6000001E-03
 H    1.128400       4.972800      4.9999999E-03


%chk=000030506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030506

0 1
O -1.571438 -2.299092 1.702002
O -0.442390 -3.279118 -0.021443
N -0.793235 -2.245974 0.673880
C -1.058799 0.148185 0.115511
C -0.201563 -0.921898 0.300684
C 1.270971 -0.964297 0.138174
C -2.529035 -0.037280 -0.068720
C -0.538689 1.547818 0.066840
C 4.117652 -1.069069 -0.198167
C 2.082487 -1.722350 1.026071
C 1.903517 -0.275531 -0.931704
C 5.630574 -1.085154 -0.351684
C 3.479943 -1.768113 0.859896
C 3.300999 -0.327379 -1.091751
C -3.032159 -1.054809 -0.926477
C 0.434941 1.998662 1.002132
C -3.452633 0.832583 0.573025
C -1.052809 2.476288 -0.880826
C 6.308990 0.096653 0.394037
C -4.420397 -1.212549 -1.115912
C 0.888318 3.332677 0.980726
C -4.840848 0.667874 0.389845
C -0.587333 3.808143 -0.910497
C -5.331171 -0.355965 -0.454931
C 0.385412 4.242591 0.019847
H 1.617872 -2.279913 1.847722
H 1.292956 0.287668 -1.644833
H 6.038443 -2.037627 0.036604
H 5.900041 -1.034708 -1.424035
H 4.086874 -2.360575 1.555236
H 3.766478 0.203330 -1.931326
H -2.334122 -1.712755 -1.456789
H 0.820541 1.301181 1.752768
H -3.077634 1.623731 1.231104
H -1.812474 2.147212 -1.598228
H 5.942611 1.066257 0.010928
H 7.406103 0.065859 0.262959
H 6.089702 0.058286 1.476377
H -4.790802 -2.000111 -1.781077
H 1.629769 3.665238 1.715474
H -5.540116 1.334275 0.906668
H -0.985186 4.506411 -1.655100
H -6.409895 -0.481826 -0.599718
H 0.741436 5.278666 0.002409


