%chk=000049407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049407

0 1
 O   -1.018700     -0.2516000      -2.214800    
 N    2.688700     -0.6743000     -0.5254000    
 N    5.311400     -0.5723000      0.6866000    
 C   -1.062800     -0.1461000     -0.7709000    
 C   0.2723000     -0.7601000     -0.2999000    
 C    1.438300     -6.7400001E-02 -0.9774000    
 C   -1.052500       1.356000     -0.4427000    
 C   -2.237600      -1.033000     -0.3076000    
 C    2.852600     -0.5124000      0.9244000    
 C    3.835400     -9.7900003E-02  -1.237900    
 C    4.164000      -1.147800       1.398900    
 C    5.147500     -0.7320000     -0.7634000    
 C   -1.289400       1.860800      0.8491000    
 C   -3.129900     -0.7810000      0.7547000    
 C   -1.721200      0.9702000       1.977300    
 C   -3.100200      0.4104000       1.679900    
 C  -0.6869000       2.293300      -1.439300    
 C   -2.411700      -2.259300      -1.010600    
 C   -1.177800       3.243400       1.106200    
 C   -4.185500      -1.694100       1.006100    
 C    6.561100      -1.181000       1.138000    
 C  -0.5837000       3.661400      -1.175500    
 C   -3.442400      -3.157000     -0.7316000    
 C  -0.8290000       4.138100      0.1011000    
 C   -4.342400      -2.866400      0.2746000    
 H   0.3146000      -1.827700     -0.5567000    
 H   0.3075000     -0.7020000      0.7876000    
 H    1.477000       1.002700     -0.7537000    
 H    1.370500     -0.1820000      -2.065500    
 H    2.076000      -1.030800       1.491900    
 H    2.827000      0.5474000       1.211400    
 H    3.879800      0.9905000      -1.095300    
 H    3.735200     -0.2820000      -2.314500    
 H    4.267600     -0.9637000       2.475300    
 H    4.120900      -2.236300       1.256300    
 H    5.167000      -1.793700      -1.045100    
 H    5.976900     -0.2405000      -1.286400    
 H  -0.9858000      0.1876000       2.181300    
 H   -1.781800       1.558000       2.902700    
 H   -3.769300       1.182900       1.278300    
 H   -3.522000      0.1050000       2.647500    
 H  -0.4588000       1.977500      -2.454900    
 H   -1.726600      -2.534200      -1.811800    
 H   -1.916900     -0.1034000      -2.559100    
 H   -1.373300       3.633600       2.102700    
 H   -4.899100      -1.492500       1.803900    
 H    6.591200      -2.259400      0.9444000    
 H    6.701000      -1.019800       2.212700    
 H    7.417600     -0.7168000      0.6367000    
 H  -0.3028000       4.347100      -1.969400    
 H   -3.536900      -4.073800      -1.305200    
 H  -0.7493000       5.199000      0.3159000    
 H   -5.155700      -3.548600      0.5005000    


%chk=000049407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049407

0 1
O -0.911019 -0.248011 -2.225129
N 2.777639 -0.555891 -0.328996
N 5.501941 -0.868816 0.634483
C -1.071802 -0.046571 -0.754916
C 0.276762 -0.584592 -0.174726
C 1.527182 0.168280 -0.674158
C -1.216308 1.476556 -0.491117
C -2.230479 -0.990877 -0.295599
C 3.092727 -0.523265 1.121249
C 3.937358 -0.052341 -1.107796
C 4.346453 -1.361872 1.420320
C 5.189485 -0.893807 -0.814268
C -1.498953 2.020058 0.796452
C -3.171453 -0.786731 0.761205
C -1.896456 1.140773 1.967284
C -3.238842 0.426506 1.686862
C -0.933126 2.374824 -1.553009
C -2.292644 -2.222926 -1.014933
C -1.498996 3.426569 0.973234
C -4.146756 -1.794739 1.008775
C 6.747753 -1.589733 0.953291
C -0.948748 3.774444 -1.368751
C -3.261112 -3.208302 -0.752054
C -1.228636 4.309664 -0.093983
C -4.212692 -2.988435 0.267831
H 0.371400 -1.643395 -0.475895
H 0.213228 -0.562929 0.927598
H 1.535486 1.213960 -0.278109
H 1.468330 0.231784 -1.775333
H 2.241963 -0.940046 1.689571
H 3.266127 0.525538 1.475204
H 4.160920 1.018352 -0.867696
H 3.693639 -0.119170 -2.184629
H 4.592416 -1.285939 2.496681
H 4.122203 -2.435653 1.190739
H 5.012577 -1.939002 -1.177611
H 6.051884 -0.478890 -1.369853
H -1.124552 0.385267 2.206597
H -2.009860 1.771734 2.867871
H -3.948209 1.173337 1.275299
H -3.671361 0.089241 2.648228
H -0.672628 1.961469 -2.530903
H -1.556073 -2.391148 -1.806124
H -1.794015 -0.091618 -2.650157
H -1.721482 3.830917 1.968547
H -4.867835 -1.626543 1.818852
H 6.705275 -2.681651 0.705339
H 6.968669 -1.493464 2.031871
H 7.589284 -1.145427 0.391306
H -0.729993 4.437089 -2.213651
H -3.269916 -4.136370 -1.334274
H -1.235217 5.393213 0.068832
H -4.980440 -3.737418 0.491550


