%chk=000094372.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094372

0 1
 O   -3.970200      -1.082800     -1.5699999E-02
 O    3.973700      -1.085400      1.5000000E-02
 N   -2.421000      0.6528000      2.0000001E-03
 N    2.411300      0.6446000     -2.7000001E-03
 N   -4.734300       1.102200      4.9000001E-03
 N    4.744900       1.097200     -4.1999999E-03
 C   -1.195100     -5.7900000E-02  6.0000003E-04
 C    1.201900     -5.1100001E-02 -1.8000000E-03
 C  -9.7000003E-03  -2.141200     -3.0000001E-04
 C  -4.8000002E-03  0.6484000     -7.9999998E-04
 C   -1.216500      -1.441800      8.9999998E-04
 C    1.199500      -1.445900     -1.7000000E-03
 C  -1.2300000E-02  -3.632600      1.9000000E-03
 C   -3.713800      0.1230000      3.8000001E-03
 C    3.721300      0.1213000     -3.5000001E-03
 C   -6.147900      0.7483000     -1.6799999E-02
 C   -4.438100       2.533200      2.7799999E-02
 C    6.157400      0.7387000      1.6600000E-02
 C    4.453400       2.529100     -2.6000001E-02
 H  -6.8999999E-03   1.735800     -7.9999998E-04
 H   -2.108500      -2.048300      8.9999998E-04
 H    2.091900      -2.053900     -7.4999998E-03
 H   -2.308500       1.660600      1.8000000E-03
 H    2.305800       1.653500     -2.6000000E-03
 H   0.8724000      -4.030900      0.5104000    
 H  -0.8866000      -4.027000      0.5309000    
 H  -2.4800001E-02  -4.009200      -1.025700    
 H   -6.284400     -0.3356000     -3.7200000E-02
 H   -6.626200       1.151600      0.8805000    
 H   -6.606600       1.183000     -0.9095000    
 H   -5.364400       3.114900      5.6000002E-02
 H   -3.879500       2.801100     -0.8739000    
 H   -3.847900       2.769100      0.9183000    
 H    6.290400     -0.3458000      3.6100000E-02
 H    6.636700       1.141100     -0.8804000    
 H    6.617800       1.171100      0.9096000    
 H    5.381000       3.108700     -5.3300001E-02
 H    3.862600       2.766000     -0.9158000    
 H    3.893700       2.796400      0.8752000    


%chk=000094372-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094372

0 1
O -4.085035 -1.051801 -0.008080
O 4.082732 -1.060764 0.029999
N -2.416261 0.617905 -0.001351
N 2.417407 0.612334 0.004385
N -4.701133 1.208431 0.004490
N 4.703843 1.197700 -0.001206
C -1.231376 -0.173862 0.000813
C 1.230638 -0.176662 0.004732
C -0.002840 -2.289972 0.014209
C 0.000501 0.528386 -0.002726
C -1.233468 -1.591468 0.011212
C 1.229341 -1.594406 0.015874
C -0.004847 -3.809840 -0.008482
C -3.749802 0.174143 -0.001565
C 3.750071 0.165734 0.012587
C -6.125957 0.842286 -0.009223
C -4.349618 2.634534 0.020599
C 6.127753 0.828180 0.017992
C 4.356035 2.624498 -0.031917
H 0.001743 1.628760 -0.007590
H -2.186791 -2.122334 0.015702
H 2.181365 -2.127462 0.025794
H -2.255183 1.625128 -0.006251
H 2.258524 1.619903 0.000800
H 0.895047 -4.221844 0.480242
H -0.896470 -4.219662 0.497119
H -0.015439 -4.186027 -1.050130
H -6.192758 -0.256103 -0.020654
H -6.643715 1.224540 0.891795
H -6.631519 1.243283 -0.909062
H -5.276121 3.229640 0.046731
H -3.790588 2.943384 -0.887666
H -3.760641 2.912881 0.919293
H 6.191781 -0.270224 0.039645
H 6.647761 1.200801 -0.885758
H 6.632969 1.236198 0.914857
H 5.284152 3.216900 -0.061689
H 3.769787 2.895653 -0.934589
H 3.795812 2.943529 0.872068


