%chk=000049033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049033

0 1
 O   0.4572000     -6.1200000E-02  0.5138000    
 O   0.2932000       2.100100       1.288900    
 O   -5.619500      0.7345000     -0.7044000    
 N    4.701800     -0.5770000      4.5100000E-02
 C    6.944400      0.4289000     -0.3070000    
 C    6.124200     -0.6568000      0.4101000    
 C    6.757300      0.3308000      -1.825000    
 C    4.514900     -0.7424000      -1.402700    
 C    5.274600      0.3314000      -2.181600    
 C    3.928100      -1.578900      0.7782000    
 C    8.422900      0.3237000      6.1999999E-02
 C    2.426800      -1.452400      0.4812000    
 C    4.192600      -1.407600       2.273400    
 C    1.839700     -9.2200004E-02  0.8480000    
 C  -0.1976000       1.100100      0.7885000    
 C   -1.626300       1.003300      0.3961000    
 C   -2.479000       2.089200      0.5944000    
 C   -2.115700     -0.1732000     -0.1715000    
 C   -7.710500     -0.3911000     -0.3636000    
 C   -4.310400      0.8222000     -0.3423000    
 C   -6.224100     -0.5565000     -0.6466000    
 C   -3.821000       1.998700      0.2253000    
 C   -3.457700     -0.2638000     -0.5407000    
 C   -8.420200      -1.739000     -0.2724000    
 C   -9.895700      -1.570900      5.2999999E-02
 H    6.584400       1.413300      2.3000000E-02
 H    6.280100     -0.4724000       1.477600    
 H    6.530900      -1.651400      0.1816000    
 H    7.257500       1.168400      -2.325000    
 H    7.219800     -0.5903000      -2.202100    
 H    4.841400      -1.737900      -1.731000    
 H    3.468300     -0.6247000      -1.696500    
 H    5.155100      0.1627000      -3.257900    
 H    4.846400       1.318000      -1.963000    
 H    4.239400      -2.593600      0.4935000    
 H    8.841000     -0.6431000     -0.2382000    
 H    9.002600       1.111100     -0.4312000    
 H    8.562900      0.4322000       1.142700    
 H    1.888100      -2.216500       1.059800    
 H    2.179800      -1.705900     -0.5558000    
 H    5.151800      -1.843000       2.574700    
 H    4.167100     -0.3594000       2.593000    
 H    3.433900      -1.940500       2.859500    
 H    2.349300      0.7079000      0.2996000    
 H    1.942400      9.2299998E-02   1.922900    
 H   -2.117300       3.014500       1.034700    
 H   -1.485700      -1.040000     -0.3497000    
 H   -7.840600      0.1699000      0.5705000    
 H   -8.165000      0.2258000      -1.148900    
 H   -6.077400      -1.063000      -1.607500    
 H   -5.793500      -1.166500      0.1581000    
 H   -7.951600      -2.356100      0.5031000    
 H   -8.318600      -2.278200      -1.221400    
 H   -4.480700       2.847800      0.3819000    
 H   -3.791900      -1.186900      -1.004800    
 H   -10.40290     -0.9832000     -0.7188000    
 H   -10.38460      -2.548400      0.1120000    
 H   -10.03050      -1.065300       1.014500    


%chk=000049033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049033

0 1
O 0.554612 -0.117162 0.690562
O 0.414956 2.179072 1.079548
O -5.796708 0.639032 0.080020
N 4.849377 -0.582956 0.030468
C 7.072949 0.487221 -0.511924
C 6.317035 -0.602570 0.283800
C 6.788061 0.329410 -2.022845
C 4.580350 -0.780522 -1.421183
C 5.266839 0.302787 -2.276730
C 4.102606 -1.562352 0.889716
C 8.583547 0.435191 -0.201810
C 2.566167 -1.450046 0.674171
C 4.444619 -1.379521 2.389670
C 2.031108 -0.033008 0.891825
C -0.151432 1.086268 0.817200
C -1.611376 0.903699 0.609792
C -2.455790 2.045673 0.698268
C -2.187869 -0.361265 0.333644
C -7.952416 -0.383277 -0.332353
C -4.409154 0.652956 0.241697
C -6.452448 -0.654467 -0.207084
C -3.840394 1.925456 0.516149
C -3.578194 -0.495422 0.149423
C -8.747605 -1.671852 -0.649165
C -10.263542 -1.409496 -0.775604
H 6.669095 1.468355 -0.186988
H 6.495610 -0.435648 1.358872
H 6.755301 -1.605369 0.022082
H 7.265086 1.150928 -2.591586
H 7.243467 -0.618961 -2.380179
H 4.931080 -1.794165 -1.756279
H 3.492519 -0.737527 -1.597740
H 5.050013 0.111136 -3.345426
H 4.831338 1.287549 -2.018354
H 4.387624 -2.611180 0.602940
H 9.014768 -0.539659 -0.502040
H 9.127013 1.225880 -0.751598
H 8.782655 0.576473 0.877313
H 2.070741 -2.138708 1.384121
H 2.278408 -1.791059 -0.336659
H 5.445567 -1.768059 2.642286
H 4.405212 -0.313113 2.675690
H 3.714035 -1.931639 3.007691
H 2.455094 0.691198 0.176158
H 2.224760 0.344076 1.911369
H -1.998795 3.017256 0.912291
H -1.536767 -1.237275 0.266451
H -8.318527 0.063610 0.611595
H -8.117375 0.366985 -1.129119
H -6.042959 -1.073731 -1.149789
H -6.243080 -1.365080 0.619542
H -8.568183 -2.423393 0.146657
H -8.369958 -2.117265 -1.592136
H -4.504346 2.792443 0.580910
H -4.000167 -1.482057 -0.061105
H -10.474130 -0.685215 -1.584523
H -10.815450 -2.339762 -1.001869
H -10.673047 -0.992370 0.163265


