%chk=000034572.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034572

0 1
 O    5.788500      0.1522000     -0.2225000    
 O   -5.788000     -0.1527000      0.2224000    
 N   0.2922000      6.6600002E-02  0.5502000    
 N  -0.2916000     -6.6100001E-02 -0.5505000    
 C    2.336900       1.312300      0.1354000    
 C   -2.336300      -1.312200     -0.1358000    
 C    1.678000      0.1024000      0.3541000    
 C   -1.682700     -0.1022000     -0.3531000    
 C    3.718200       1.329300     -5.8499999E-02
 C   -3.717600      -1.329300      5.7799999E-02
 C    4.440600      0.1362000     -3.3599999E-02
 C   -4.440100     -0.1364000      3.3300001E-02
 C    2.400200      -1.090500      0.3789000    
 C   -2.399900       1.090700     -0.3784000    
 C    3.781500      -1.073700      0.1852000    
 C   -3.781200       1.073700     -0.1847000    
 C    1.584600       2.602300      0.1042000    
 C   -1.583900      -2.602200     -0.1056000    
 C    6.464400      -1.103600     -0.1841000    
 C   -6.464000       1.103200      0.1853000    
 H    4.241500       2.266700     -0.2310000    
 H   -4.240900      -2.266800      0.2298000    
 H    1.895500      -2.038200      0.5492000    
 H   -1.894400       2.037800     -0.5486000    
 H    4.280500      -2.036200      0.2171000    
 H   -4.280300       2.036200     -0.2162000    
 H    2.258900       3.465500      8.4299996E-02
 H   0.9533000       2.653100     -0.7888000    
 H   0.9577000       2.707500      0.9960000    
 H  -0.9576000      -2.706800     -0.9978000    
 H  -0.9521000      -2.653200      0.7870000    
 H   -2.258100      -3.465400     -8.5600004E-02
 H    6.131600      -1.764700     -0.9915000    
 H    6.380400      -1.576000      0.8005000    
 H    7.527700     -0.9037000     -0.3527000    
 H   -6.130900       1.763600      0.9931000    
 H   -7.527200      0.9032000      0.3541000    
 H   -6.380200       1.576500     -0.7990000    


%chk=000034572-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034572

0 1
O 5.988290 0.168661 -0.055064
O -5.987955 -0.168259 0.053307
N 0.355054 0.552616 -0.003901
N -0.354817 -0.553261 0.005348
C 2.566697 1.555237 -0.026045
C -2.566606 -1.555503 0.028688
C 1.767167 0.361590 -0.016659
C -1.766858 -0.362002 0.017333
C 3.968068 1.425545 -0.038725
C -3.967958 -1.425532 0.040494
C 4.588186 0.150548 -0.042155
C -4.587852 -0.150420 0.041067
C 2.400578 -0.912420 -0.020405
C -2.400052 0.912121 0.018169
C 3.799295 -1.031159 -0.032985
C -3.798745 1.031135 0.029816
C 1.921613 2.927708 -0.022467
C -1.921799 -2.928111 0.028203
C 6.688482 -1.119273 -0.055752
C -6.687941 1.119790 0.051751
H 4.610434 2.311768 -0.046214
H -4.610489 -2.311620 0.049499
H 1.761211 -1.800811 -0.013279
H -1.760514 1.800384 0.009496
H 4.262408 -2.022339 -0.035624
H -4.261695 2.022394 0.030013
H 2.687054 3.722488 -0.029530
H 1.265853 3.059522 -0.901202
H 1.279858 3.061397 0.866233
H -1.279442 -3.063605 -0.859789
H -1.266685 -3.058403 0.907645
H -2.687410 -3.722717 0.036252
H 6.439118 -1.711611 -0.957160
H 6.451683 -1.705798 0.852806
H 7.757965 -0.863337 -0.064011
H -6.438410 1.713684 0.952084
H -7.757464 0.864037 0.060531
H -6.451121 1.704656 -0.857871


