%chk=000040984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040984

0 1
 O    2.347900      0.2293000     -0.1188000    
 O    2.308100      -1.996400      0.4764000    
 N   -3.336500       2.299600     -0.1692000    
 N  -0.3456000      0.1629000      0.4123000    
 C   -4.507300       1.436500     -1.5699999E-02
 C   -3.758800       3.605700      0.3358000    
 C   -5.652400       2.331000     -0.4675000    
 C   -5.159100       3.756600     -0.2398000    
 C   -2.170000       1.783600      0.5316000    
 C   -1.520800      0.6661000     -0.2794000    
 C   0.2876000     -0.9099000     -0.3596000    
 C  -0.4381000      -2.225600     -0.1763000    
 C    5.718700       1.911900      0.2637000    
 C    4.225300       1.714000     -4.2500000E-02
 C    1.746600     -0.9912000      5.9400000E-02
 C    3.728500      0.2966000      0.2160000    
 C    6.556800      0.9755000     -0.6098000    
 C    6.170100       3.357700      5.2000001E-02
 C  -0.4675000      -3.156400      -1.214900    
 C   -1.077100      -2.507600       1.031200    
 C   -1.136000      -4.368900      -1.046000    
 C   -1.745400      -3.720200       1.199900    
 C   -1.774900      -4.650800      0.1613000    
 H   -4.664200       1.139200       1.029100    
 H   -4.451300      0.5332000     -0.6306000    
 H   -3.098100       4.412200      2.7000001E-03
 H   -3.804200       3.620000       1.432500    
 H   -5.869400       2.179500      -1.531400    
 H   -6.568700       2.124700      9.4800003E-02
 H   -5.815400       4.309300      0.4400000    
 H   -5.131800       4.296100      -1.193800    
 H   -1.431700       2.589500      0.6439000    
 H   -2.419600       1.444200       1.545700    
 H   -2.243600     -0.1427000     -0.4335000    
 H   -1.242000       1.054000      -1.268000    
 H   0.3121000      0.9351000      0.5255000    
 H   0.3027000     -0.6556000      -1.429200    
 H    5.899600       1.655800       1.315300    
 H    4.013400       1.985800      -1.085100    
 H    3.631600       2.411100      0.5633000    
 H    3.864100      3.8100000E-02   1.272500    
 H    4.264400     -0.4268000     -0.4059000    
 H    6.314100       1.092700      -1.671500    
 H    6.413200     -7.3500000E-02 -0.3346000    
 H    7.625000       1.186900     -0.4865000    
 H    6.034100       3.666600     -0.9900000    
 H    7.227800       3.479400      0.3082000    
 H    5.591500       4.038500      0.6849000    
 H   2.7899999E-02  -2.949700      -2.159700    
 H   -1.058100      -1.814000       1.867100    
 H   -1.158400      -5.094000      -1.854400    
 H   -2.239300      -3.942000       2.141500    
 H   -2.294300      -5.595500      0.2933000    


%chk=000040984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040984

0 1
O 2.314003 0.106179 -0.374747
O 2.385828 -2.014919 -1.326384
N -3.446329 2.407326 -0.369453
N -0.317712 0.276978 -0.307085
C -4.611372 1.512970 -0.135226
C -3.836618 3.703500 0.244123
C -5.842692 2.424327 -0.392103
C -5.309313 3.885559 -0.197242
C -2.148090 1.886988 0.098653
C -1.675505 0.671316 -0.722284
C 0.184377 -0.963672 -0.905223
C -0.401071 -2.221879 -0.228699
C 5.753627 1.590621 0.493314
C 4.225194 1.476512 0.237273
C 1.725180 -1.046474 -0.891524
C 3.810863 0.119301 -0.331800
C 6.581529 1.431523 -0.805992
C 6.073044 2.940461 1.178142
C -0.498997 -3.439831 -0.942442
C -0.824973 -2.168225 1.119902
C -1.012684 -4.595566 -0.312420
C -1.339410 -3.323189 1.750523
C -1.434638 -4.540667 1.036771
H -4.622169 1.132444 0.919869
H -4.582013 0.637836 -0.807122
H -3.172987 4.514717 -0.105872
H -3.771995 3.665798 1.363403
H -6.221924 2.287163 -1.418946
H -6.665966 2.183160 0.302869
H -5.890432 4.451731 0.551492
H -5.356383 4.438720 -1.150722
H -1.400446 2.699787 -0.006101
H -2.170448 1.600734 1.182144
H -2.349309 -0.188351 -0.544789
H -1.749111 0.927255 -1.807271
H 0.371511 1.035691 -0.327576
H -0.068758 -1.039041 -1.995319
H 6.044417 0.775143 1.189955
H 3.907701 2.280219 -0.456611
H 3.683320 1.636905 1.189422
H 4.141125 -0.721189 0.306714
H 4.183390 -0.055949 -1.356098
H 6.275869 2.185709 -1.557165
H 6.462960 0.431075 -1.260504
H 7.658566 1.576917 -0.602965
H 5.807122 3.787226 0.516197
H 7.150494 3.021365 1.411972
H 5.508937 3.057753 2.122109
H -0.160898 -3.487103 -1.984212
H -0.749950 -1.210107 1.645925
H -1.084016 -5.535468 -0.871518
H -1.666141 -3.274599 2.795865
H -1.835210 -5.436581 1.524979


