%chk=000040196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040196

0 1
 O   -5.499700      0.4101000      0.1160000    
 N   0.7209000       1.882200     -0.4487000    
 N   0.4247000      -3.798100       1.034200    
 C    1.037700     -6.5300003E-02  0.5681000    
 C   0.7927000      -1.364000       1.232000    
 C   0.7265000      -2.582200      0.2704000    
 C    2.311500      0.5142000      0.3102000    
 C   7.9899997E-02  0.7989000      9.0099998E-02
 C    2.084400       1.735400     -0.3283000    
 C    2.040200      -2.769700     -0.5124000    
 C   -1.360900      0.6981000      9.6799999E-02
 C    3.639900      0.1161000      0.5595000    
 C    3.123500       2.581500     -0.7316000    
 C    2.012800      -3.964900      -1.458400    
 C    4.689300      0.9523000      0.1618000    
 C    4.432800       2.165600     -0.4737000    
 C   -2.088400       1.204900       1.172200    
 C   -2.021000      9.4400004E-02 -0.9722000    
 C   -3.479900       1.107800       1.178800    
 C   -3.412500     -2.6000000E-03 -0.9659000    
 C   -4.142000      0.5042000      0.1097000    
 C   -6.112300     -0.2190000      -1.008700    
 H    1.573700      -1.540300       1.984500    
 H  -0.1451000      -1.308700       1.801600    
 H  -8.8600002E-02  -2.420200     -0.4460000    
 H    2.235300      -1.885400      -1.127400    
 H    2.884500      -2.886500      0.1773000    
 H   0.2643000       2.677400     -0.8744000    
 H    3.861700     -0.8208000       1.061500    
 H   0.2193000      -4.566100      0.3971000    
 H  -0.4240000      -3.654900       1.580700    
 H    2.924700       3.526200      -1.226400    
 H    2.915200      -3.969100      -2.078900    
 H    1.988100      -4.914000     -0.9149000    
 H    1.145800      -3.920100      -2.125200    
 H    5.715800      0.6514000      0.3534000    
 H    5.263100       2.799900     -0.7737000    
 H   -1.587200       1.678100       2.013300    
 H   -1.465400     -0.3057000      -1.817200    
 H   -4.042800       1.504300       2.019500    
 H   -3.862300     -0.4836000      -1.827700    
 H   -5.813800      -1.269300      -1.094300    
 H   -5.929400      0.3411000      -1.932100    
 H   -7.193600     -0.2070000     -0.8366000    


%chk=000040196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040196

0 1
O -5.645741 0.875486 -0.128917
N 0.763536 1.999620 -0.300596
N 0.317681 -3.922023 0.598252
C 1.033152 -0.154046 0.438833
C 0.760030 -1.539772 0.973170
C 0.804573 -2.697459 -0.072375
C 2.334480 0.489627 0.364720
C 0.082840 0.803501 0.026122
C 2.136183 1.833014 -0.115140
C 2.223641 -2.936465 -0.637050
C -1.388294 0.772038 -0.021648
C 3.654870 0.067346 0.681046
C 3.203630 2.734962 -0.315505
C 2.285594 -4.037298 -1.719724
C 4.723677 0.965206 0.495754
C 4.502681 2.283470 -0.004047
C -2.144727 1.949311 0.269753
C -2.112838 -0.402910 -0.356079
C -3.547324 1.952082 0.222865
C -3.523736 -0.419132 -0.396034
C -4.247531 0.764686 -0.110149
C -6.415435 -0.326685 -0.457814
H 1.486208 -1.794273 1.769062
H -0.241809 -1.553364 1.450079
H 0.162984 -2.394496 -0.941405
H 2.591252 -1.985619 -1.064405
H 2.890472 -3.204374 0.206491
H 0.317451 2.810435 -0.724387
H 3.840146 -0.942149 1.063844
H 0.350349 -4.766579 0.020251
H -0.583536 -3.812626 1.074351
H 3.035454 3.751470 -0.689027
H 3.297300 -4.096783 -2.160726
H 2.054308 -5.038330 -1.308480
H 1.573870 -3.828855 -2.542068
H 5.745220 0.650283 0.736661
H 5.355990 2.956941 -0.142469
H -1.626755 2.864928 0.578783
H -1.566796 -1.311745 -0.625297
H -4.123424 2.853180 0.454236
H -4.039489 -1.345745 -0.665605
H -6.228396 -1.137378 0.273160
H -6.183131 -0.686572 -1.479158
H -7.469208 -0.016307 -0.405328


