%chk=000039685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039685

0 1
 O    2.929100     -0.6332000      0.5621000    
 O    2.480700      -2.866900      0.6806000    
 O   -1.199500      -2.351500     -0.8285000    
 O   0.3663000      -3.679500     -3.1099999E-02
 N  -0.9350000      1.7100001E-02  -1.049800    
 N  -7.8199998E-02  -2.573700     -0.3584000    
 C   0.3063000     -0.2430000     -0.5291000    
 C    1.232900      0.9006000     -0.3248000    
 C    2.503500      0.6641000      0.2124000    
 C   0.7829000      -1.448800     -0.1761000    
 C   0.9205000       2.233900     -0.6404000    
 C   -2.111800      0.3211000     -0.3636000    
 C    3.431700       1.685800      0.4357000    
 C    2.111300      -1.736400      0.3849000    
 C    1.840600       3.268100     -0.4228000    
 C    3.094600       2.994500      0.1148000    
 C   -3.302800      0.5618000      -1.063600    
 C   -2.121400      0.3912000       1.036900    
 C   -4.478600      0.8663000     -0.3777000    
 C   -3.297200      0.6956000       1.722900    
 C   -4.475800      0.9331000       1.015500    
 H  -0.9366000      0.2634000      -2.035100    
 H  -4.5299999E-02   2.497100      -1.065500    
 H    4.409100       1.464800      0.8546000    
 H    1.571800       4.289700     -0.6769000    
 H    3.804500       3.798800      0.2816000    
 H   -3.321000      0.5126000      -2.149800    
 H   -1.223300      0.2126000       1.622500    
 H   -5.396300       1.051000     -0.9282000    
 H   -3.295600      0.7477000       2.807700    
 H   -5.391300       1.170100       1.549600    


%chk=000039685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039685

0 1
O 2.945625 -0.622538 0.374097
O 2.114512 -2.712284 0.851126
O -1.229260 -2.061507 -1.010989
O -0.773384 -2.734234 1.124594
N -0.935541 0.884949 -0.493977
N -0.558930 -1.993256 0.094470
C 0.301185 0.339938 -0.207045
C 1.467549 1.233739 -0.299698
C 2.758661 0.697642 -0.031091
C 0.524529 -0.997088 0.166555
C 1.383490 2.618137 -0.629400
C -2.243187 0.476413 -0.070729
C 3.926605 1.485272 -0.133040
C 1.830574 -1.553322 0.514410
C 2.538528 3.409605 -0.737352
C 3.816147 2.838114 -0.496269
C -3.328189 0.674619 -0.960283
C -2.475386 -0.011862 1.239802
C -4.641379 0.377354 -0.541945
C -3.791737 -0.320247 1.640984
C -4.878743 -0.125817 0.758199
H -0.921387 1.722230 -1.079122
H 0.410389 3.100495 -0.776627
H 4.891540 1.017762 0.081317
H 2.451346 4.469723 -0.993762
H 4.717337 3.454043 -0.578737
H -3.139743 1.029814 -1.980125
H -1.645921 -0.138780 1.942807
H -5.475955 0.524680 -1.235564
H -3.965455 -0.708970 2.649715
H -5.897721 -0.366622 1.078080


