%chk=000004397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004397

0 1
 O    4.951000      0.5826000      0.9155000    
 O    5.492700      -2.330200     -0.3158000    
 O    6.829500     -0.5770000      -1.919300    
 O    6.964500       2.544900       1.181800    
 N    2.758400     -4.9500000E-02  0.2614000    
 N    1.104000       1.317300     -0.3490000    
 N    1.461900      -1.976000      0.9758000    
 N   -1.810100      0.4764000     -0.1350000    
 N  -0.9326000      -1.578900      0.7207000    
 N   -9.565900     -0.4507000      6.1099999E-02
 C    4.776000      -1.164900     -0.7203000    
 C    4.121100     -0.5253000      0.5053000    
 C    5.719800     -7.9499997E-02  -1.202800    
 C    6.131500      0.5911000      9.6199997E-02
 C    6.619800       2.017000     -8.6900003E-02
 C    1.596800     -0.7340000      0.4868000    
 C    2.408800       1.177500     -0.2402000    
 C   0.5841000      0.1301000      0.1018000    
 C  -0.7213000     -0.3328000      0.2329000    
 C   -3.173600      5.0999999E-02 -2.1299999E-02
 C   0.1562000      -2.312300       1.057000    
 C   -4.131700       1.161800     -0.4530000    
 C   -5.571500      0.7347000     -0.3167000    
 C   -6.202800      0.1185000      -1.386500    
 C   -6.240300      0.9652000      0.8760000    
 C   -7.534700     -0.2764000      -1.260600    
 C   -7.572100      0.5701000       1.001700    
 C   -8.219400     -5.0600000E-02 -6.6500001E-02
 H    4.070800      -1.474700      -1.498300    
 H    4.065700      -1.215800       1.354900    
 H    5.166400      0.6207000      -1.840700    
 H    6.899600      8.8999998E-03  0.6218000    
 H    5.841400       2.657700     -0.5140000    
 H    7.503800       2.058700     -0.7294000    
 H    4.840900      -2.969700      1.8999999E-02
 H    7.395800      0.1786000      -2.149900    
 H    3.139500       1.926700     -0.5128000    
 H    6.171800       2.500600       1.743600    
 H   -1.600300       1.399400     -0.4990000    
 H   -3.337700     -0.8391000     -0.6417000    
 H   -3.388000     -0.2336000       1.016700    
 H  -5.0200000E-02  -3.304500       1.443800    
 H   -3.928000       1.455300      -1.491300    
 H   -3.956200       2.066600      0.1442000    
 H   -5.677400     -6.3299999E-02  -2.319700    
 H   -5.744100       1.446300       1.714100    
 H   -8.027700     -0.7599000      -2.100100    
 H   -8.094600      0.7511000       1.937700    
 H   -10.03610     -0.8997000     -0.7136000    
 H   -10.06300     -0.2860000      0.9263000    


%chk=000004397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004397

0 1
O 4.702587 1.218010 0.251381
O 6.221127 -1.484923 0.999157
O 6.097630 -1.519745 -1.646113
O 4.728784 2.877917 -2.074091
N 2.994466 0.138484 1.568682
N 1.149233 0.642115 2.845558
N 1.830303 -0.785144 -0.446191
N -1.678510 0.059875 1.784187
N -0.617958 -0.757077 -0.182930
N -8.882065 -0.217971 -1.561389
C 4.882566 -1.189161 0.501777
C 4.412008 0.116908 1.185492
C 4.950458 -0.836452 -1.019477
C 5.212671 0.682161 -1.047997
C 4.480590 1.438077 -2.159980
C 1.875210 -0.231216 0.805349
C 2.489845 0.663117 2.774415
C 0.753821 0.083375 1.615303
C -0.539677 -0.200525 1.076799
C -3.035198 -0.172510 1.262658
C 0.543742 -1.014010 -0.852720
C -3.558876 0.996211 0.375101
C -4.956880 0.710464 -0.148428
C -5.156118 -0.165604 -1.247948
C -6.109486 1.264048 0.464667
C -6.445528 -0.477035 -1.720103
C -7.408533 0.964485 0.006812
C -7.598493 0.084441 -1.097206
H 4.199136 -2.033363 0.708584
H 4.999922 0.273164 2.106451
H 3.991229 -1.094466 -1.500336
H 6.300502 0.878235 -1.094280
H 3.395214 1.210194 -2.102336
H 4.870487 1.128101 -3.144698
H 6.766539 -1.725656 0.195719
H 5.789784 -2.332890 -2.117052
H 3.151940 1.040158 3.551416
H 4.483934 3.164008 -1.156127
H -1.552578 0.504345 2.696182
H -3.019587 -1.097538 0.662005
H -3.715289 -0.328021 2.119654
H 0.426752 -1.457612 -1.846584
H -2.844479 1.122531 -0.459456
H -3.548160 1.931158 0.967142
H -4.283000 -0.604411 -1.747871
H -5.989923 1.949916 1.313491
H -6.567469 -1.152042 -2.576697
H -8.280565 1.414452 0.497994
H -9.016287 -0.840382 -2.352257
H -9.703321 0.186206 -1.122008


