%chk=000047550.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047550

0 1
 O   -3.288600     -0.9056000       1.012300    
 O   -2.967500     -0.5830000      -1.354900    
 N   0.7564000      -1.851000      0.2262000    
 N    4.455100      0.4089000      3.0000000E-03
 C   -2.998700      -1.533100     -0.2612000    
 C   -1.629400      -2.205200     -0.1669000    
 C  -0.5413000      -1.189600      0.1603000    
 C    3.161200      -1.610800      0.6223000    
 C    1.809400     -0.8984000      0.5486000    
 C    4.314100     -0.6684000      0.9750000    
 C   -4.088400      -2.564800     -0.5496000    
 C   -3.423400      0.3990000      0.6451000    
 C   -3.239900      0.5831000     -0.7063000    
 C    5.166300     -6.0500000E-02  -1.187600    
 C    5.155700       1.549900      0.5954000    
 C   -3.709600       1.451800       1.489100    
 C   -3.332300       1.830400      -1.288400    
 C    5.262200       1.034000      -2.237000    
 C    6.569400       1.173400       1.005200    
 C   -3.809200       2.725800      0.9250000    
 C   -3.621600       2.914000     -0.4558000    
 H   -1.392500      -2.696800      -1.119400    
 H   -1.645700      -2.975000      0.6154000    
 H  -0.5074000     -0.4074000     -0.6064000    
 H  -0.7482000     -0.7150000       1.126100    
 H    3.112700      -2.391900       1.392900    
 H    3.365100      -2.131000     -0.3213000    
 H    1.841600     -0.1131000     -0.2156000    
 H    1.603700     -0.4211000       1.514300    
 H    4.092500     -0.2609000       1.970800    
 H    5.231600      -1.261900       1.077900    
 H   0.9597000      -2.302900     -0.6649000    
 H   -5.068200      -2.078000     -0.6178000    
 H   -3.913300      -3.072700      -1.503800    
 H   -4.153300      -3.309800      0.2503000    
 H    4.588800     -0.8707000      -1.648500    
 H    6.155300     -0.4849000     -0.9815000    
 H    4.604400       1.893200       1.480700    
 H    5.163900       2.419200     -7.0500001E-02
 H   -3.853000       1.302400       2.553100    
 H   -3.186700       1.971100      -2.353300    
 H    4.294800       1.519400      -2.405700    
 H    6.002200       1.798300      -1.981800    
 H    5.577500      0.5987000      -3.192000    
 H    7.020800       2.029300       1.521800    
 H    7.224300      0.9591000      0.1561000    
 H    6.614500      0.3388000       1.710300    
 H   -4.033400       3.580500       1.557500    
 H   -3.702700       3.912300     -0.8771000    


%chk=000047550-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047550

0 1
O -3.255586 -0.757027 1.065461
O -3.088507 -0.460297 -1.317106
N 0.841119 -1.734909 0.075600
N 4.832216 0.271063 -0.010959
C -2.998017 -1.506905 -0.223926
C -1.585640 -2.090496 -0.202590
C -0.479409 -1.066468 0.115141
C 3.291784 -1.683636 0.489100
C 1.974714 -0.887021 0.520570
C 4.517647 -0.846073 0.920247
C -4.122044 -2.519794 -0.428084
C -3.710134 0.527163 0.691746
C -3.613192 0.700913 -0.707922
C 5.519419 -0.190980 -1.243500
C 5.462434 1.439661 0.655045
C -4.176747 1.542048 1.531603
C -3.979190 1.897661 -1.330078
C 5.576743 0.876988 -2.352047
C 6.889463 1.223902 1.233772
C -4.556448 2.766573 0.912096
C -4.459853 2.940454 -0.488097
H -1.406019 -2.549067 -1.195678
H -1.545630 -2.904375 0.544241
H -0.558723 -0.200260 -0.584456
H -0.634444 -0.674843 1.137176
H 3.197850 -2.558661 1.161446
H 3.452113 -2.090836 -0.530917
H 2.099251 0.041153 -0.085595
H 1.765398 -0.567446 1.561904
H 4.306409 -0.405879 1.915062
H 5.391246 -1.531969 1.057148
H 1.027829 -2.125291 -0.861067
H -5.097585 -2.005551 -0.451172
H -3.981395 -3.056184 -1.382134
H -4.125268 -3.250850 0.398155
H 4.953079 -1.059661 -1.627511
H 6.554435 -0.565498 -1.031996
H 4.785291 1.755897 1.471981
H 5.486040 2.277428 -0.066123
H -4.244006 1.397361 2.613161
H -3.897084 2.022677 -2.413082
H 4.565845 1.276906 -2.547919
H 6.237045 1.722176 -2.087057
H 5.966615 0.433437 -3.286768
H 7.245891 2.150746 1.720925
H 7.615637 0.959102 0.443443
H 6.898897 0.418373 1.990728
H -4.930592 3.585041 1.535845
H -4.759998 3.892354 -0.938412


