%chk=000034531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034531

0 1
 O   -1.661800       2.168300     -0.2284000    
 O  -0.5096000      -2.295500     -0.6154000    
 O    2.788100      0.9490000     -0.5670000    
 N   -1.133900     -7.6300003E-02 -0.4204000    
 N   0.5764000       1.606600     -0.3953000    
 N    1.174100     -0.7085000     -0.5962000    
 C   -2.859000       1.803500      0.4517000    
 C   -1.228800      -2.817900      0.4924000    
 C    3.621900      0.4174000      0.4526000    
 C   -3.418900       3.022600       1.168600    
 C   -3.849600       1.230700     -0.5504000    
 C   -2.599100      -3.283700      2.4900001E-02
 C  -0.4291000      -3.949500       1.120000    
 C    4.695000     -0.4540000     -0.1820000    
 C    4.222100       1.561200       1.255800    
 C  -0.7046000       1.197300     -0.3526000    
 C  -0.1413000     -0.9725000     -0.5409000    
 C    1.458300      0.6014000     -0.5175000    
 H   -2.648900       1.052900       1.226300    
 H   -1.375300      -2.050800       1.265300    
 H    3.044900     -0.2061000       1.149600    
 H   -4.336200       2.779900       1.713500    
 H   -2.684400       3.418000       1.878500    
 H   -3.634800       3.828500      0.4587000    
 H   -4.800400      0.9882000     -6.4700000E-02
 H   -3.483900      0.3225000      -1.036200    
 H   -4.047200       1.951600      -1.351900    
 H   -3.183400      -3.697500      0.8524000    
 H   -3.158300      -2.450200     -0.4136000    
 H   -2.507500      -4.046600     -0.7560000    
 H  -0.9521000      -4.379000       1.979800    
 H   0.5498000      -3.587100       1.452100    
 H  -0.2393000      -4.745200      0.3913000    
 H    5.361400     -0.8802000      0.5741000    
 H    4.238600      -1.274300     -0.7465000    
 H    5.295700      0.1222000     -0.8944000    
 H    4.873000       1.190600       2.053500    
 H    3.429800       2.169200       1.705700    
 H    4.803200       2.229400      0.6106000    


%chk=000034531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034531

0 1
O -1.732167 2.133188 0.341919
O -0.057474 -2.259222 0.826089
O 2.797991 1.377275 0.295718
N -0.998600 -0.104508 0.564656
N 0.534053 1.769089 0.303250
N 1.394505 -0.500256 0.552423
C -3.156142 1.635789 0.414486
C -1.456755 -2.822943 0.917079
C 3.984392 0.439134 0.371862
C -3.949252 2.825226 0.959181
C -3.592636 1.183372 -0.985592
C -2.000992 -3.032287 -0.502341
C -1.297915 -4.115842 1.718839
C 4.206812 -0.195017 -1.007181
C 5.137185 1.325785 0.845528
C -0.708513 1.227622 0.402455
C 0.099506 -0.911858 0.640232
C 1.541660 0.850098 0.384440
H -3.171700 0.781425 1.115246
H -2.073525 -2.082398 1.457746
H 3.734566 -0.341119 1.113041
H -5.015922 2.553266 1.056885
H -3.570648 3.128180 1.949965
H -3.868031 3.690142 0.278126
H -4.652353 0.868686 -0.966693
H -2.984271 0.330043 -1.329904
H -3.488439 2.012201 -1.707555
H -3.006336 -3.490157 -0.455736
H -2.083655 -2.070874 -1.036334
H -1.338774 -3.705749 -1.074304
H -2.282892 -4.599273 1.850873
H -0.870893 -3.909921 2.714866
H -0.629655 -4.819817 1.193017
H 5.111357 -0.830378 -0.983652
H 3.349219 -0.828251 -1.288046
H 4.350948 0.586730 -1.773802
H 6.054543 0.719480 0.955319
H 4.902383 1.787930 1.819300
H 5.333321 2.131307 0.116599


