%chk=000054504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054504

0 1
 O   0.5849000     -0.2345000      0.3029000    
 O   -2.857500       1.999800     -0.1561000    
 O  -0.3490000      -2.258400     -0.2086000    
 N    4.270400     -0.2779000      0.3504000    
 N   -1.655300     -0.3696000      0.2459000    
 C    5.222200      0.5590000       1.094500    
 C    4.666400     -0.4083000      -1.058900    
 C    6.633800     -2.7400000E-02   1.038300    
 C    6.059700      -1.025900      -1.185600    
 C    7.094300     -0.2269000     -0.4011000    
 C    2.918200      0.2701000      0.4532000    
 C    1.880400     -0.8056000      0.1755000    
 C  -0.4792000      -1.075800      8.2900003E-02
 C   -2.980400     -0.8435000      0.1143000    
 C   -4.067800      7.1000000E-03  0.3143000    
 C   -3.869600       1.444200      0.6730000    
 C   -3.193500      -2.181000     -0.2198000    
 C   -5.368000     -0.4798000      0.1799000    
 C   -2.629700       3.369600      0.1456000    
 C   -1.555000       3.906500     -0.7873000    
 C   -4.493800      -2.667700     -0.3543000    
 C   -5.581000      -1.817200     -0.1544000    
 C  -0.2506000       3.143100     -0.6447000    
 H    4.924100      0.6173000       2.148400    
 H    5.231500       1.583700      0.7001000    
 H    4.654700      0.5690000      -1.559800    
 H    3.975000      -1.058800      -1.604100    
 H    7.331600      0.6367000       1.560700    
 H    6.653100     -0.9900000       1.564900    
 H    6.038800      -2.059200     -0.8162000    
 H    6.350900      -1.069900      -2.241200    
 H    8.060800     -0.7422000     -0.4193000    
 H    7.240300      0.7503000     -0.8776000    
 H    2.768500       1.138800     -0.2017000    
 H    2.729000      0.6391000       1.470800    
 H    1.986100      -1.626900      0.8951000    
 H    1.980200      -1.206600     -0.8382000    
 H   -1.547000      0.6079000      0.4993000    
 H   -3.576500       1.516000       1.727600    
 H   -4.796400       2.012500      0.5298000    
 H   -2.407800      -2.902700     -0.3909000    
 H   -6.226300      0.1689000      0.3340000    
 H   -3.554800       3.939700      2.4000001E-03
 H   -2.311000       3.471300       1.189700    
 H   -1.385000       4.967300     -0.5735000    
 H   -1.893100       3.826300      -1.827000    
 H   -4.661200      -3.709000     -0.6145000    
 H   -6.593300      -2.196400     -0.2587000    
 H   9.0400003E-02   3.127700      0.3953000    
 H  -0.3536000       2.111400     -0.9925000    
 H   0.5297000       3.616300      -1.249400    


%chk=000054504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054504

0 1
O 0.527655 -0.258664 0.225036
O -2.800733 2.002001 -0.100312
O -0.372828 -2.431871 0.118291
N 4.266744 -0.158432 0.202176
N -1.717432 -0.470783 0.135180
C 5.213742 0.810793 0.811582
C 4.724817 -0.591323 -1.143996
C 6.623181 0.198445 0.944162
C 6.118486 -1.247452 -1.073311
C 7.142314 -0.284755 -0.429413
C 2.866518 0.325217 0.202185
C 1.887666 -0.854619 0.272136
C -0.536659 -1.185373 0.154379
C -3.033529 -0.984661 0.007034
C -4.114018 -0.065399 0.194747
C -3.878404 1.350057 0.683556
C -3.303553 -2.340060 -0.316372
C -5.438084 -0.521722 0.008914
C -2.594492 3.408248 0.300366
C -1.450966 3.994718 -0.534625
C -4.637346 -2.771978 -0.472340
C -5.712459 -1.867618 -0.321718
C -0.063261 3.410142 -0.194779
H 4.828348 1.091246 1.809674
H 5.280742 1.752083 0.202338
H 4.765956 0.283287 -1.847799
H 3.992715 -1.307989 -1.558377
H 7.309946 0.949091 1.380859
H 6.572442 -0.658953 1.642770
H 6.047134 -2.172243 -0.469052
H 6.440045 -1.535644 -2.092721
H 8.126084 -0.779185 -0.320910
H 7.290983 0.591376 -1.094549
H 2.627457 0.951158 -0.692495
H 2.708359 0.961368 1.092341
H 2.012834 -1.418505 1.212609
H 2.002173 -1.556551 -0.573007
H -1.653000 0.562489 0.101207
H -3.572495 1.349390 1.755471
H -4.810702 1.943504 0.591699
H -2.469209 -3.034838 -0.433562
H -6.265996 0.186726 0.136777
H -3.539086 3.966742 0.122892
H -2.358292 3.454905 1.387602
H -1.444446 5.091095 -0.370877
H -1.684079 3.832405 -1.604237
H -4.832961 -3.820779 -0.722215
H -6.745971 -2.202706 -0.457220
H 0.195306 3.594942 0.865493
H -0.023092 2.320797 -0.365655
H 0.720049 3.878276 -0.818530


