%chk=000031774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031774

0 1
 O   -6.844400     -0.2679000      7.1400002E-02
 N    1.895000       1.286600     -4.9999999E-03
 N   -2.121100      -1.234300     -1.4200000E-02
 N  -0.2617000      0.1869000     -1.1100000E-02
 N    1.317300      -2.169600      1.5000000E-03
 N   1.4000000E-03  -2.233000     -2.9000000E-03
 C   -5.585100      0.4150000      4.4999998E-03
 C   -4.478400     -0.6583000      9.7000003E-03
 C   -3.047700     -0.1259000     -2.1100000E-02
 C   -5.580600       1.253600      -1.275300    
 C   -5.515800       1.322400       1.233200    
 C    3.215800      0.8863000      3.9999999E-04
 C    3.231800     -0.5134000      3.5999999E-03
 C    1.079200      0.1912000     -5.5999998E-03
 C    1.877700     -0.9360000      5.0000002E-04
 C  -0.7440000      -1.084500     -9.2000002E-03
 C    4.387500       1.651800      2.4000001E-03
 C    4.474300      -1.177900      8.8999998E-03
 C    1.438500       2.660300     -9.8999999E-03
 C    5.607500      0.9697000      7.1999999E-03
 C    5.652600     -0.4230000      1.0900000E-02
 H   -4.636500      -1.333400     -0.8434000    
 H   -4.609900      -1.298800      0.8936000    
 H   -2.887700      0.4763000     -0.9217000    
 H   -2.863700      0.5072000      0.8533000    
 H   -6.449200       1.921600      -1.308900    
 H   -5.652600      0.6104000      -2.159600    
 H   -4.679200       1.867500      -1.363300    
 H   -6.386700       1.986800       1.279900    
 H   -5.531000      0.7303000       2.155300    
 H   -4.617300       1.946900       1.235300    
 H   -2.476100      -2.183900     -1.5600000E-02
 H   -7.552800      0.3981000      5.5900000E-02
 H    4.361000       2.736400     -1.9999999E-04
 H    4.524900      -2.263000      1.1600000E-02
 H    1.823700       3.146700     -0.9099000    
 H   0.3467000       2.696700     -1.2100000E-02
 H    1.820100       3.152100      0.8885000    
 H    6.535400       1.535900      8.7000001E-03
 H    6.613600     -0.9305000      1.4900000E-02


%chk=000031774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031774

0 1
O -6.865339 -0.389199 0.050616
N 1.916491 1.335524 -0.007986
N -2.125491 -1.231569 -0.008919
N -0.260382 0.217231 -0.011405
N 1.326807 -2.214397 0.001151
N -0.037417 -2.274600 -0.002350
C -5.620588 0.431043 0.005919
C -4.518260 -0.655894 0.014329
C -3.078085 -0.112859 -0.016004
C -5.614083 1.268237 -1.292993
C -5.566558 1.334631 1.258439
C 3.266680 0.888768 -0.002311
C 3.290428 -0.550200 0.002250
C 1.090753 0.221444 -0.006973
C 1.900920 -0.973974 -0.000671
C -0.767841 -1.066602 -0.008054
C 4.447712 1.653752 -0.000891
C 4.528051 -1.228681 0.008302
C 1.463975 2.726236 -0.013675
C 5.677351 0.953452 0.005233
C 5.718250 -0.467276 0.009761
H -4.691406 -1.312990 -0.860018
H -4.667454 -1.274383 0.920488
H -2.904046 0.506985 -0.917207
H -2.877641 0.537317 0.857428
H -6.473338 1.966288 -1.308144
H -5.691443 0.607300 -2.174025
H -4.695831 1.875533 -1.387185
H -6.428763 2.028938 1.272267
H -5.604868 0.719896 2.174754
H -4.648914 1.949639 1.283851
H -2.456663 -2.197940 -0.008040
H -7.645661 0.223328 0.041230
H 4.425707 2.748259 -0.004327
H 4.554693 -2.322584 0.011798
H 1.826422 3.255131 -0.913983
H 0.362549 2.723774 -0.016444
H 1.821924 3.260970 0.884981
H 6.615841 1.518860 0.006533
H 6.688020 -0.976086 0.014477


