%chk=000047000.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047000

0 1
 O    1.638200     -0.6732000     -0.9834000    
 O    2.475100      -2.068700      0.6448000    
 N   -3.381100     -0.1977000      0.1847000    
 C   -4.440400      0.3195000       1.081400    
 C   -4.825300       1.758100      0.6808000    
 C   -3.813100     -0.1648000      -1.223900    
 C   -5.247400       1.848300     -0.7799000    
 C   -4.173200       1.249200      -1.673900    
 C   -2.969900      -1.561900      0.5293000    
 C   -4.013600      0.3322000       2.556200    
 C   -1.829600      -2.018000     -0.3792000    
 C  -0.6098000      -1.109900     -0.2326000    
 C   0.5189000      -1.530200      -1.164900    
 C    2.543500      -1.062300     -4.3400001E-02
 C    3.658500     -8.6199999E-02  4.9699999E-02
 C    4.300500      8.1400000E-02   1.259600    
 C    4.019300      0.6224000      -1.078100    
 C    5.348900      0.9974000       1.345500    
 C    5.067800       1.538400     -0.9922000    
 C    5.732600       1.725900      0.2196000    
 H   -5.335000     -0.3128000      0.9947000    
 H   -3.976900       2.433900      0.8536000    
 H   -5.648400       2.116000       1.311300    
 H   -4.668000     -0.8342000      -1.386600    
 H   -3.020200     -0.4684000      -1.911300    
 H   -6.191300       1.308700     -0.9240000    
 H   -5.427400       2.893000      -1.055800    
 H   -3.278300       1.884200      -1.650300    
 H   -4.525100       1.231000      -2.711700    
 H   -3.809500      -2.263800      0.4481000    
 H   -2.601200      -1.612900       1.559000    
 H   -4.753700      0.8591000       3.169000    
 H   -3.933300     -0.6793000       2.965800    
 H   -3.050600      0.8378000       2.689100    
 H   -1.538600      -3.026800     -5.4600000E-02
 H   -2.123600      -2.146000      -1.424900    
 H  -0.8570000     -6.4000003E-02 -0.4501000    
 H  -0.2565000      -1.122300      0.8060000    
 H   0.1986000      -1.426400      -2.207600    
 H   0.7905000      -2.583300      -1.022900    
 H    4.008800     -0.4776000       2.143700    
 H    3.527400      0.4852000      -2.036400    
 H    5.866200       1.143900       2.289200    
 H    5.368800       2.103600      -1.869500    
 H    6.549400       2.438600      0.2864000    


%chk=000047000-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047000

0 1
O 1.713337 -0.833332 -0.945653
O 2.426877 -1.931420 0.987549
N -3.507406 -0.269037 0.027726
C -4.387513 0.402563 1.040581
C -4.654468 1.865867 0.600908
C -4.125885 -0.237830 -1.325893
C -5.263247 1.959531 -0.813503
C -4.369580 1.201086 -1.815811
C -3.101878 -1.651723 0.396978
C -3.766195 0.400137 2.454315
C -1.874462 -2.167022 -0.393921
C -0.635345 -1.261499 -0.214729
C 0.554447 -1.772508 -1.035135
C 2.575105 -1.014693 0.139145
C 3.677337 -0.007415 0.153647
C 4.642919 -0.094626 1.190091
C 3.778300 1.017112 -0.823327
C 5.701918 0.834111 1.248767
C 4.839902 1.944633 -0.760229
C 5.802444 1.855500 0.273733
H -5.380793 -0.124031 1.086291
H -3.690684 2.412528 0.629520
H -5.328578 2.339015 1.341299
H -5.100973 -0.796696 -1.328328
H -3.454195 -0.758398 -2.031034
H -6.277243 1.508213 -0.810624
H -5.382141 3.018022 -1.114059
H -3.394407 1.716774 -1.911407
H -4.836571 1.173899 -2.819564
H -3.949143 -2.374832 0.266306
H -2.833014 -1.660773 1.466366
H -4.325656 1.099416 3.102039
H -3.794836 -0.588732 2.943935
H -2.714793 0.738999 2.407263
H -1.650533 -3.192680 -0.035594
H -2.117078 -2.263181 -1.471398
H -0.895163 -0.231906 -0.519420
H -0.353691 -1.227086 0.854869
H 0.324100 -1.799885 -2.113781
H 0.883716 -2.769459 -0.689057
H 4.542889 -0.893038 1.932860
H 3.027093 1.073381 -1.615845
H 6.446354 0.764898 2.049307
H 4.918227 2.735539 -1.514193
H 6.625506 2.577676 0.319309


