%chk=000095378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095378

0 1
 O    4.385800      -1.667000      0.9364000    
 O   -4.487300      -1.269100       1.043000    
 O  -0.9760000      4.8000000E-02  -2.396800    
 N    1.869200     -0.5615000      0.1975000    
 N   -1.893800     -0.6585000      4.1700002E-02
 C   0.5076000     -0.1239000      0.4981000    
 C  -0.5090000      -1.008000     -0.2681000    
 C    2.027900      -1.996900      0.4693000    
 C    2.848800      0.2095000      0.9755000    
 C   -2.152200     -0.7787000       1.483400    
 C   -2.827200      -1.508900     -0.7097000    
 C   0.3459000       1.362400      0.2161000    
 C  -0.3851000     -0.8401000      -1.781900    
 C    3.459000      -2.427600      0.1605000    
 C    4.260400     -0.2729000      0.6538000    
 C   -3.605700     -0.4216000       1.780800    
 C   -4.264700      -1.133600     -0.3610000    
 C    1.049700       1.923800     -0.8301000    
 C  -0.4995000       2.105400       1.014800    
 C   0.5385000      -1.794300      -2.495800    
 C   0.9019000       3.286600      -1.088600    
 C  -0.6475000       3.468100      0.7563000    
 C   5.3300001E-02   4.058600     -0.2953000    
 H   0.3824000     -0.2732000       1.578100    
 H  -0.4110000      -2.068700     -2.1400001E-02
 H    1.407500      -2.649300     -0.1422000    
 H    1.807300      -2.210700       1.523600    
 H    2.666400      6.9200002E-02   2.050000    
 H    2.837700       1.284900      0.7849000    
 H   -1.534500     -0.1644000       2.130800    
 H   -1.981700      -1.819000       1.795200    
 H   -2.665000      -2.565100     -0.4544000    
 H   -2.740100      -1.417900      -1.795600    
 H    3.596600      -3.481800      0.4222000    
 H    3.696000      -2.316900     -0.9048000    
 H    4.523400     -8.5299999E-02 -0.3945000    
 H    4.987200      0.2571000       1.277800    
 H   -3.817000     -0.5735000       2.844200    
 H   -3.821400      0.6280000       1.546000    
 H   -4.503100     -0.1094000     -0.6733000    
 H   -4.960600      -1.806400     -0.8723000    
 H    1.698700       1.349100      -1.484000    
 H   -1.021300       1.704700       1.870900    
 H   0.3605000      -2.818200      -2.159100    
 H    1.579800      -1.506200      -2.349100    
 H   0.3205000      -1.760300      -3.567900    
 H    1.443200       3.745600      -1.910700    
 H   -1.299100       4.072400       1.380800    
 H  -6.0800001E-02   5.119900     -0.4956000    


%chk=000095378-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095378

0 1
O 4.410778 -1.641427 1.376078
O -4.540718 -1.419817 1.336017
O -1.233533 0.083807 -2.582357
N 1.872792 -0.620506 0.290210
N -1.924623 -0.796197 0.187859
C 0.468459 -0.098653 0.364061
C -0.590944 -0.995655 -0.444620
C 2.019783 -2.021045 0.787756
C 2.814676 0.239307 1.077298
C -2.072091 -1.656874 1.396849
C -3.131639 -0.961807 -0.673927
C 0.368817 1.364833 -0.073534
C -0.469689 -0.694388 -1.953329
C 3.475883 -2.495317 0.634749
C 4.258915 -0.252206 0.913564
C -3.343686 -1.276773 2.172977
C -4.386752 -0.588903 0.126653
C 1.146476 1.883822 -1.140236
C -0.560978 2.217014 0.569245
C 0.696028 -1.388634 -2.640975
C 1.002971 3.226576 -1.548402
C -0.711683 3.560991 0.159107
C 0.072282 4.071670 -0.900230
H 0.112915 -0.151702 1.422135
H -0.287739 -2.063437 -0.332476
H 1.381552 -2.707483 0.205308
H 1.717522 -2.098766 1.862393
H 2.543520 0.223990 2.162043
H 2.741793 1.281256 0.727427
H -1.197461 -1.532895 2.062704
H -2.129389 -2.738516 1.112493
H -3.231238 -2.013963 -1.040671
H -3.046917 -0.294370 -1.544075
H 3.601245 -3.507983 1.052778
H 3.747070 -2.503733 -0.444287
H 4.561593 -0.177044 -0.153663
H 4.948357 0.342929 1.534577
H -3.497381 -1.951210 3.032131
H -3.255966 -0.227870 2.533178
H -4.333287 0.482586 0.416556
H -5.297312 -0.767004 -0.468620
H 1.869169 1.230798 -1.643187
H -1.181180 1.814520 1.377696
H 0.522214 -2.481840 -2.681232
H 1.620851 -1.222439 -2.053343
H 0.809953 -1.004133 -3.666426
H 1.610980 3.612097 -2.374617
H -1.438869 4.206713 0.664313
H -0.041920 5.114078 -1.218448


