%chk=000126079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126079

0 1
 O    5.285100       1.109900      0.8303000    
 O    3.006700      -2.900000     -5.1199999E-02
 O   -5.753200     -6.6399999E-02 -0.7272000    
 O   -8.632800      -1.001800       1.197100    
 O   -8.278600      0.7884000     -0.1659000    
 N    2.976400       1.194500      0.5530000    
 N    4.173800     -0.9048000      0.3919000    
 N   0.5356000      -1.227800     -0.1136000    
 N   0.5482000      0.9772000      0.2157000    
 C    1.818200      0.4726000      0.2999000    
 C    1.838600     -0.8810000      0.1011000    
 C    2.903800       2.636000      0.7584000    
 C    4.221600      0.5198000      0.6089000    
 C    5.445400      -1.617700      0.4468000    
 C    3.016800      -1.685800      0.1300000    
 C    3.048900       3.415600     -0.5430000    
 C  -0.2029000     -7.5300001E-02 -3.4800000E-02
 C    6.126100      -1.696400     -0.9144000    
 C   -1.635200     -7.2999999E-02 -0.2136000    
 C    2.996100       4.922500     -0.3349000    
 C    7.443400      -2.457800     -0.8702000    
 C   -2.269500       1.051100     -0.7411000    
 C   -2.383300      -1.195000      0.1415000    
 C   -3.653700       1.053300     -0.9137000    
 C   -3.767400      -1.192800     -3.1300001E-02
 C   -4.402600     -6.8700001E-02 -0.5588000    
 C   -6.522000     -0.8544000      0.1804000    
 C   -7.883600     -0.2420000      0.3588000    
 H    3.707400       2.929000       1.444800    
 H    1.960300       2.885100       1.258600    
 H    5.272900      -2.631200      0.8283000    
 H    6.110600      -1.122900       1.164000    
 H   0.1931000      -2.159900     -0.3075000    
 H    3.997800       3.155200      -1.027400    
 H    2.254300       3.124300      -1.240400    
 H    6.310600     -0.6850000      -1.296000    
 H    5.458300      -2.182600      -1.635800    
 H    3.804000       5.254200      0.3249000    
 H    3.102700       5.441900      -1.292300    
 H    2.042300       5.221600      0.1111000    
 H    7.288200      -3.487600     -0.5332000    
 H    7.897100      -2.489600      -1.865700    
 H    8.150600      -1.975200     -0.1883000    
 H   -1.704300       1.935000      -1.027000    
 H   -1.920500      -2.084200      0.5621000    
 H   -4.143200       1.931500      -1.325500    
 H   -4.310800      -2.094600      0.2350000    
 H   -6.641900      -1.860700     -0.2344000    
 H   -6.063900     -0.8838000       1.176800    
 H   -9.528400     -0.6247000       1.331100    


%chk=000126079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126079

0 1
O 5.414030 1.162030 0.561984
O 3.146666 -2.978910 0.272999
O -5.879054 0.357346 0.078516
O -9.003634 -1.468103 -0.159817
O -8.611531 0.826232 -0.002911
N 3.075393 1.214225 0.513645
N 4.271779 -0.891733 0.439661
N 0.556193 -1.272903 0.274408
N 0.606414 0.998965 0.394353
C 1.894634 0.493541 0.421745
C 1.901739 -0.908155 0.349779
C 3.066005 2.698224 0.555392
C 4.317402 0.533973 0.505361
C 5.585834 -1.592530 0.425112
C 3.093647 -1.710618 0.346339
C 3.117261 3.327660 -0.854077
C -0.203492 -0.105634 0.304726
C 6.166447 -1.719364 -1.000814
C -1.664156 -0.055585 0.245001
C 3.108396 4.868777 -0.775879
C 7.528577 -2.443938 -0.984412
C -2.309702 1.215430 0.282278
C -2.468083 -1.220885 0.149632
C -3.705365 1.314278 0.225407
C -3.874275 -1.135255 0.091824
C -4.493837 0.139134 0.129688
C -6.734479 -0.813172 -0.017526
C -8.179906 -0.335472 -0.054680
H 3.945004 3.012929 1.142718
H 2.143583 3.003142 1.079510
H 5.416210 -2.593423 0.856711
H 6.275501 -1.018195 1.065653
H 0.227551 -2.235294 0.213058
H 4.033387 2.980749 -1.367396
H 2.249088 2.973255 -1.441447
H 6.282810 -0.707491 -1.431678
H 5.449618 -2.275723 -1.633699
H 3.982737 5.244536 -0.212228
H 3.141874 5.315803 -1.785339
H 2.194915 5.239140 -0.273521
H 7.434516 -3.462815 -0.563869
H 7.938939 -2.537697 -2.005777
H 8.266692 -1.890347 -0.374352
H -1.686978 2.111611 0.355856
H -2.013273 -2.218398 0.117925
H -4.212084 2.283099 0.253105
H -4.461463 -2.055207 0.018670
H -6.529903 -1.396413 -0.938289
H -6.606473 -1.487084 0.854017
H -9.958052 -1.187735 -0.184060


