%chk=000058881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058881

0 1
 O   -2.821300      -1.632200       1.029100    
 O   0.4340000     -0.3461000      0.8481000    
 O  -0.9622000     -0.6206000       2.661000    
 N    4.879500      0.4171000     -0.9706000    
 C   -1.409800      -1.424300     -0.8580000    
 C  -0.9583000      -2.889200     -0.6820000    
 C   -2.537500      -1.960900      -1.763800    
 C   -1.631900      -3.179200      -2.039600    
 C   -1.881300     -0.7494000      0.4126000    
 C   -2.533300      0.5786000      4.2599998E-02
 C  -0.7792000     -0.5734000       1.450600    
 C   -1.749800       1.574700     -0.5001000    
 C   -3.884500      0.7394000      0.2633000    
 C    1.536000     -0.1562000       1.716700    
 C    2.779400      7.8800000E-02  0.9151000    
 C    2.785200       1.279200      2.9000000E-03
 C    4.183800       1.629700     -0.5269000    
 C   -2.346200       2.789400     -0.8383000    
 C   -4.480900       1.954100     -7.5099997E-02
 C    5.084900     -0.5069000      0.1570000    
 C    3.852100     -0.7266000      0.9895000    
 C   -3.711800       2.979100     -0.6259000    
 C    6.153300      0.7448000      -1.607900    
 H  -0.6683000     -0.8498000      -1.433500    
 H   0.1247000      -3.044100     -0.6611000    
 H   -1.399600      -3.470600      0.1328000    
 H   -3.478200      -2.232300      -1.271900    
 H   -2.770500      -1.347700      -2.639200    
 H  -0.9659000      -3.048900      -2.900300    
 H   -2.141400      -4.142200      -2.123400    
 H   -2.344700      -2.333500       1.503200    
 H  -0.6872000       1.449000     -0.6779000    
 H   -4.513400     -3.6600001E-02  0.6865000    
 H    1.353100      0.7129000       2.360500    
 H    1.645800      -1.039100       2.358300    
 H    2.115700       1.078800     -0.8432000    
 H    2.387300       2.152400      0.5337000    
 H    4.760100       2.146800      0.2523000    
 H    4.066500       2.332000      -1.361500    
 H    5.882500     -0.1505000      0.8219000    
 H    5.400000      -1.478300     -0.2427000    
 H   -1.747700       3.587300      -1.268000    
 H   -5.544300       2.102000      8.9299999E-02
 H    3.855100      -1.576400       1.666100    
 H   -4.176100       3.924700     -0.8898000    
 H    5.991100       1.379400      -2.486200    
 H    6.835400       1.266800     -0.9271000    
 H    6.650000     -0.1644000      -1.964400    


%chk=000058881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058881

0 1
O -2.736776 -0.891332 1.373460
O 0.670265 -1.501790 0.234338
O -0.227011 -0.898318 2.302810
N 4.316048 1.879890 -0.403978
C -2.006363 -2.128492 -0.597064
C -2.169665 -3.551682 0.037988
C -3.460278 -2.248935 -1.170232
C -3.371289 -3.799187 -0.940686
C -1.706859 -0.929069 0.334091
C -1.690125 0.399579 -0.464694
C -0.351135 -1.104780 1.067043
C -0.704226 0.655199 -1.453173
C -2.704465 1.359824 -0.236117
C 2.060181 -1.627364 0.837793
C 2.901829 -0.438709 0.455021
C 2.501612 0.926320 0.991176
C 3.687710 1.909171 0.936768
C -0.731469 1.858535 -2.191948
C -2.731628 2.561632 -0.979583
C 4.902805 0.562797 -0.723727
C 4.007432 -0.588249 -0.323848
C -1.745240 2.817097 -1.959249
C 5.265362 2.981736 -0.633231
H -1.255471 -2.139576 -1.405938
H -1.306845 -4.235626 -0.024912
H -2.512087 -3.475851 1.084427
H -4.188781 -1.781161 -0.487627
H -3.629827 -1.887851 -2.197458
H -3.056540 -4.335995 -1.853406
H -4.262524 -4.294736 -0.522898
H -2.278010 -0.675820 2.233175
H 0.091557 -0.074553 -1.638215
H -3.462809 1.145309 0.522227
H 1.925494 -1.714053 1.931481
H 2.445121 -2.567785 0.413207
H 1.663240 1.331584 0.391267
H 2.131896 0.833207 2.031343
H 4.422174 1.651459 1.744473
H 3.334057 2.938414 1.129982
H 5.905917 0.418158 -0.232390
H 5.091915 0.516737 -1.816015
H 0.041441 2.047888 -2.945386
H -3.523714 3.296223 -0.793777
H 4.297548 -1.581780 -0.692980
H -1.764789 3.750518 -2.533247
H 4.756285 3.949764 -0.479934
H 6.159646 2.949042 0.041270
H 5.628590 2.950211 -1.676929


