%chk=000121476.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121476

0 1
 O   9.4300002E-02  -2.692500       1.622600    
 N    4.765300      0.8475000      0.5716000    
 N   0.1433000     -0.4800000       2.180200    
 C   0.1069000      -1.070000     -0.2317000    
 C  -0.6251000      -2.179400      -1.101000    
 C    1.624800     -0.9597000     -0.6492000    
 C  -0.6213000      0.2936000     -0.3769000    
 C    2.479900      1.2000001E-03  0.1974000    
 C   0.1280000      -1.515200       1.266000    
 C  -0.7305000      -1.847800      -2.598900    
 C  -2.7600000E-02  -3.593400     -0.9758000    
 C   -1.934900      0.4188000      1.2800000E-02
 C    3.946400     -4.6999998E-02 -0.2394000    
 C   0.1358000       1.307300     -0.9042000    
 C   -2.541300       1.687800     -0.1452000    
 C  -0.4604000       2.555200      -1.059500    
 C   -2.686000     -0.6391000      0.5505000    
 C   -1.790200       2.745700     -0.6829000    
 C   -3.880800       1.861500      0.2394000    
 C   -4.015700     -0.4486000      0.9271000    
 C    4.323000       2.234000      0.4146000    
 C    6.178100      0.7209000      0.2107000    
 C   -4.612000      0.7992000      0.7718000    
 H   -1.660800      -2.327300     -0.8059000    
 H    1.730200     -0.7252000      -1.715500    
 H    2.090300      -1.945100     -0.5289000    
 H    2.115100       1.018500      0.2558000    
 H    2.476900     -0.3551000       1.235100    
 H   -1.325000      -2.604100      -3.124400    
 H   0.2546000      -1.818200      -3.074700    
 H   -1.222800     -0.8859000      -2.768200    
 H  -0.4538000      -4.248500      -1.746800    
 H    1.053500      -3.620300      -1.123500    
 H  -0.2755000      -4.086900     -3.5100002E-02
 H    4.024000      0.2068000      -1.304900    
 H    4.308900      -1.077000     -0.1264000    
 H    1.102400       1.228500      -1.378000    
 H   9.6299998E-02   3.373200      -1.508000    
 H   -2.296000      -1.613300      0.8074000    
 H   0.2121000      0.4994000       1.926600    
 H   0.1372000     -0.6782000       3.175400    
 H   -2.238300       3.727500     -0.8209000    
 H   -4.366900       2.828600      0.1283000    
 H   -4.580200      -1.268000       1.363100    
 H    3.387900       2.431200      0.9467000    
 H    4.212400       2.524400     -0.6365000    
 H    5.048800       2.919100      0.8704000    
 H    6.799900       1.349500      0.8580000    
 H    6.365500       1.005100     -0.8312000    
 H    6.522000     -0.3095000      0.3547000    
 H   -5.645600      0.9483000       1.070200    


%chk=000121476-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121476

0 1
O -0.071648 -2.741589 1.720664
N 4.916588 0.779941 0.559289
N 0.114975 -0.512502 2.267539
C 0.111911 -1.101212 -0.162936
C -0.549863 -2.223278 -1.093903
C 1.650787 -1.023689 -0.487852
C -0.636651 0.239449 -0.397947
C 2.541990 -0.071673 0.349099
C 0.025753 -1.533433 1.341515
C -0.827873 -1.709707 -2.529871
C 0.249361 -3.550431 -1.177936
C -2.016720 0.430492 0.034006
C 3.945953 0.041650 -0.283102
C -0.029389 1.271951 -1.130055
C -2.696418 1.675284 -0.291244
C -0.699746 2.491717 -1.445664
C -2.770124 -0.554080 0.765878
C -2.012456 2.694755 -1.030101
C -4.056501 1.878791 0.119530
C -4.094423 -0.330261 1.147716
C 4.588410 2.212075 0.706935
C 6.305657 0.587867 0.093573
C -4.750901 0.896996 0.824697
H -1.525642 -2.469425 -0.633572
H 1.765451 -0.783881 -1.564802
H 2.053132 -2.044264 -0.362348
H 2.083282 0.931214 0.429598
H 2.658244 -0.456860 1.377437
H -1.227212 -2.539362 -3.142179
H 0.097904 -1.354488 -3.022042
H -1.561654 -0.886653 -2.554236
H -0.389299 -4.320884 -1.650003
H 1.152136 -3.448265 -1.808444
H 0.536033 -3.910271 -0.177953
H 3.855064 0.502826 -1.305906
H 4.346802 -0.980561 -0.432057
H 0.991415 1.145069 -1.498828
H -0.172331 3.260360 -2.021020
H -2.307673 -1.502792 1.046929
H 0.131300 0.466172 1.985303
H 0.096354 -0.754615 3.258174
H -2.541369 3.625523 -1.266789
H -4.542234 2.827713 -0.138209
H -4.634406 -1.104506 1.703699
H 3.599544 2.334748 1.179557
H 4.577953 2.762568 -0.270267
H 5.335715 2.694514 1.361917
H 7.004081 1.082660 0.792346
H 6.494462 1.001395 -0.931010
H 6.547127 -0.489875 0.076349
H -5.789754 1.060324 1.131324


