%chk=000003454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003454

0 1
 O   -2.032200      0.4769000      0.1502000    
 O   -4.034600       1.526800       1.748100    
 O   -4.777300      -1.692600     -0.8684000    
 O    4.428300       1.062800      0.4752000    
 N   7.5400002E-02  0.8327000     -0.7227000    
 N    1.159000      -1.265000     -0.1387000    
 N    1.843400       2.177800     -0.4018000    
 N    3.467900      -1.046700      0.4842000    
 N    2.378400      -3.136600      0.4546000    
 C   -3.387200      0.1163000     -8.1100002E-02
 C   -1.269100      0.4257000      -1.047300    
 C    1.110600      5.6299999E-02 -0.3272000    
 C    2.180400      0.8807000     -0.1344000    
 C   0.5701000       2.117400     -0.7540000    
 C   -4.128400      0.1975000       1.247000    
 C   -3.426600      -1.295000     -0.6560000    
 C    3.454600      0.3411000      0.2967000    
 C    2.387200      -1.776400      0.2757000    
 H   -3.836900      0.8339000     -0.7794000    
 H   -1.666600       1.116500      -1.798900    
 H   -1.177400     -0.5778000      -1.467000    
 H   -5.186900     -6.1600000E-02   1.149600    
 H   -3.671500     -0.4597000       1.993800    
 H   -2.951700      -1.369500      -1.635900    
 H   -2.940300      -2.013200      1.3600000E-02
 H  -4.2800002E-02   2.962200      -1.038300    
 H   0.3648000      -1.881300     -0.2768000    
 H   -4.459100       2.114500       1.100100    
 H   -4.756800      -2.600800      -1.215500    
 H    1.541900      -3.686400      0.2922000    
 H    3.210800      -3.631400      0.7560000    


%chk=000003454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003454

0 1
O -1.810324 -1.159606 -1.258412
O -1.619517 -1.892971 1.530110
O -4.852400 0.444718 0.162034
O 3.668170 2.005540 0.875208
N -0.119871 0.574783 -1.491920
N 0.755716 -0.934710 0.301826
N 1.408706 2.270757 -1.265329
N 2.711198 -0.064506 1.457564
N 1.700668 -2.071626 2.136321
C -2.717805 -0.544892 -0.259335
C -1.109770 -0.273548 -2.172020
C 0.773689 0.199418 -0.489635
C 1.707922 1.239727 -0.347596
C 0.326166 1.855335 -1.928010
C -2.887406 -1.622479 0.820907
C -4.066323 -0.186028 -0.907198
C 2.773709 1.140835 0.673708
C 1.765397 -0.977545 1.289281
H -2.262042 0.372902 0.165278
H -1.789807 0.399205 -2.731194
H -0.616506 -0.969853 -2.872431
H -3.685638 -1.319923 1.522148
H -3.158651 -2.576466 0.339250
H -3.905813 0.512271 -1.755018
H -4.558242 -1.104547 -1.289721
H -0.183367 2.398207 -2.721592
H -0.098211 -1.514860 0.396596
H -1.522962 -1.277565 2.299223
H -5.694910 0.811401 -0.203274
H 1.069839 -2.852674 1.970418
H 2.425784 -2.136200 2.846412


