%chk=000001242.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001242

0 1
 O   -3.740100      -1.814900      -1.287000    
 O   -4.500100     -0.5545000       1.068800    
 N    1.304800       2.652700     -0.3692000    
 C   0.6767000      0.3091000      -1.160700    
 C  -0.7034000      0.1165000     -0.5340000    
 C   0.8941000       1.809100      -1.492900    
 C   -1.093300      0.7590000      0.6583000    
 C  -0.1735000       1.693900       1.403200    
 C   0.2320000       2.918700      0.5860000    
 C    1.828600     -0.4072000     -0.4454000    
 C   -1.615800     -0.7467000      -1.172500    
 C   -2.376100      0.5154000       1.181100    
 C   -2.885200     -0.9729000     -0.6428000    
 C   -3.265100     -0.3423000      0.5351000    
 C    1.557500      -1.465000      0.4199000    
 C    3.142300      2.4000001E-03 -0.6625000    
 C    2.605200      -2.116300       1.071100    
 C    4.190000     -0.6488000     -1.1500000E-02
 C    3.921500      -1.708200      0.8553000    
 H   0.6428000     -0.1847000      -2.144700    
 H    1.683700       1.882300      -2.251500    
 H   1.7000000E-03   2.231500      -1.974800    
 H  -0.6799000       2.054100       2.308500    
 H   0.7043000       1.146600       1.766500    
 H  -0.6325000       3.374800      8.7600000E-02
 H   0.6159000       3.669400       1.287500    
 H    1.628500       3.546000     -0.7416000    
 H   -1.332500      -1.253400      -2.093000    
 H   -2.681900       1.005000       2.103600    
 H   0.5511000      -1.826200      0.6042000    
 H    3.390200      0.8090000      -1.344400    
 H    2.396900      -2.943700       1.743000    
 H    5.215400     -0.3344000     -0.1828000    
 H    4.737400      -2.216400       1.360700    
 H   -4.570400      -1.854200     -0.7811000    
 H   -4.586700     -3.4600001E-02   1.886100    


%chk=000001242-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001242

0 1
O -3.820713 -1.845976 -1.169956
O -4.547413 -0.608229 1.134347
N 1.281011 2.709380 -0.525733
C 0.660872 0.308443 -1.193444
C -0.708571 0.122363 -0.523501
C 0.925206 1.785018 -1.619341
C -1.055571 0.797177 0.684230
C -0.105733 1.779002 1.354581
C 0.241550 3.011322 0.477071
C 1.807736 -0.374164 -0.415822
C -1.645897 -0.752740 -1.125757
C -2.332782 0.566576 1.255266
C -2.912136 -0.975342 -0.554853
C -3.250391 -0.309479 0.647966
C 1.581989 -1.645600 0.176838
C 3.114204 0.173764 -0.340991
C 2.624554 -2.348872 0.819303
C 4.160855 -0.528793 0.299479
C 3.923493 -1.793960 0.882379
H 0.593593 -0.233583 -2.161409
H 1.768552 1.793738 -2.337232
H 0.017242 2.115585 -2.182883
H -0.564741 2.141497 2.293713
H 0.848899 1.286378 1.621429
H -0.703836 3.400252 0.021366
H 0.645570 3.806408 1.132356
H 1.729503 3.561200 -0.882168
H -1.400649 -1.279287 -2.054360
H -2.606702 1.083601 2.185085
H 0.578656 -2.085247 0.138818
H 3.307842 1.167654 -0.751543
H 2.423285 -3.328852 1.267648
H 5.161352 -0.082913 0.348291
H 4.735089 -2.336710 1.380477
H -4.650241 -1.875196 -0.624540
H -4.741578 -0.133315 1.976988


