%chk=000060788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060788

0 1
 O   -5.934500      0.8812000      7.8900002E-02
 O    5.809500      0.8302000      0.7505000    
 O   -2.517900      -1.982900     -6.5300003E-02
 O    2.538900      -1.918000     -0.5337000    
 N   -3.390700     -0.1030000      0.9743000    
 N    3.559700      0.1332000     -0.8908000    
 N    1.188600       1.330900     -0.5715000    
 C   -4.652800     -0.6940000       1.357300    
 C   -1.166300     -6.7599997E-02 -1.2300000E-02
 C    4.893400     -0.3791000      -1.108800    
 C    1.172100     -1.4700000E-02 -0.4431000    
 C   3.3100002E-02 -0.7538000     -0.1668000    
 C   -2.391900     -0.7944000      0.2789000    
 C   -5.705600     -0.5074000      0.2801000    
 C    5.675300     -0.4691000      0.1890000    
 C    2.452700     -0.6788000     -0.6135000    
 C   -1.189600       1.317200     -0.1370000    
 C   4.1000000E-03   1.963500     -0.4145000    
 C   -6.919500       1.108000     -0.9199000    
 C    6.541300      0.7987000       1.968200    
 H   -4.962000     -0.1952000       2.281800    
 H   -4.505500      -1.758700       1.564700    
 H    4.829800      -1.363300      -1.583400    
 H    5.382600      0.3146000      -1.800500    
 H   7.0799999E-02  -1.834200     -6.8000004E-02
 H   -3.229600      0.8495000       1.283400    
 H   -5.372900     -0.9626000     -0.6603000    
 H   -6.638300     -0.9894000      0.5948000    
 H    3.426500       1.139200     -0.9416000    
 H    5.157400      -1.122800      0.9008000    
 H    6.669400     -0.8842000     -1.2800000E-02
 H   -2.095000       1.907900     -5.7700001E-02
 H   3.8800001E-02   3.041900     -0.5289000    
 H   -7.054700       2.187200      -1.031100    
 H   -7.875400      0.6650000     -0.6241000    
 H   -6.593900      0.6964000      -1.880200    
 H    6.614100       1.819800       2.352300    
 H    7.552600      0.4167000       1.798500    
 H    6.024700      0.1827000       2.710500    


%chk=000060788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060788

0 1
O -5.849607 0.992332 0.620770
O 5.901816 1.173171 0.288384
O -2.540857 -2.503317 -0.491646
O 2.588432 -2.508931 -0.270296
N -3.604093 -0.595570 0.314817
N 3.641254 -0.420049 -0.442596
N 1.283189 0.880036 -0.389798
C -4.930512 -1.214838 0.415233
C -1.207649 -0.490109 -0.218776
C 5.011851 -0.929944 -0.462225
C 1.224956 -0.489211 -0.327028
C 0.012064 -1.206462 -0.250893
C -2.497173 -1.280145 -0.147975
C -5.996952 -0.263463 -0.132460
C 5.871890 -0.259783 0.611911
C 2.542382 -1.238557 -0.343872
C -1.153669 0.925951 -0.290516
C 0.106095 1.561363 -0.377173
C -6.804933 2.017618 0.203722
C 6.624445 1.959540 1.284859
H -5.162671 -1.453732 1.471504
H -4.906225 -2.160595 -0.152462
H 4.963733 -2.020931 -0.298100
H 5.474310 -0.746659 -1.451864
H 0.024154 -2.299212 -0.222605
H -3.540238 0.369060 0.645961
H -5.842067 -0.076191 -1.216984
H -7.011044 -0.691267 0.021084
H 3.473002 0.592520 -0.475295
H 5.432073 -0.417929 1.620621
H 6.901816 -0.680311 0.596545
H -2.059818 1.540832 -0.313061
H 0.178624 2.652446 -0.442930
H -6.601596 2.903458 0.825414
H -7.850672 1.684534 0.369621
H -6.677988 2.279768 -0.868019
H 6.581283 3.006149 0.944801
H 7.686105 1.641400 1.361776
H 6.153591 1.877630 2.287748


