%chk=000045949.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045949

0 1
 O    3.256600      -1.557100     -0.5214000    
 O   -2.324200     -0.4499000       1.918900    
 N   -4.172700      0.5801000     -3.6100000E-02
 C   -2.178000     -0.7828000      0.5326000    
 C   -2.760800      0.3505000     -0.3338000    
 C  -0.7337000      -1.027900      0.2423000    
 C    1.542000     -0.2237000      0.1081000    
 C   -4.957800     -0.6219000     -0.3175000    
 C   -4.681500       1.713800     -0.8079000    
 C   0.1845000      2.1199999E-02  0.3857000    
 C    1.914100      -1.501400     -0.2978000    
 C    2.741800      0.5460000      0.1313000    
 C  -0.3184000      -2.296900     -0.1676000    
 C    1.024600      -2.563900     -0.4488000    
 C    3.759000     -0.3180000     -0.2621000    
 C   -6.419100     -0.4207000      4.5899998E-02
 C   -3.878000       2.972700     -0.5287000    
 C    3.077300       1.876900      0.4418000    
 C    5.099000      5.0000001E-02 -0.3703000    
 C    4.416900       2.276100      0.3424000    
 C    5.408200       1.376800     -5.6899998E-02
 H   -2.709400      -1.724000      0.3735000    
 H   -2.606200      0.1303000      -1.398800    
 H   -2.190000       1.251900     -9.6500002E-02
 H   -4.873600     -0.9329000      -1.366300    
 H   -4.638700      -1.462300      0.3035000    
 H   -4.682800       1.509600      -1.886100    
 H   -5.709700       1.948500     -0.5141000    
 H  -0.1254000       1.006500      0.7199000    
 H   -1.038200      -3.105300     -0.2764000    
 H    1.354200      -3.545700     -0.7675000    
 H   -6.533600      8.9999996E-03   1.047100    
 H   -6.946700      0.2110000     -0.6752000    
 H   -6.934100      -1.388200      4.6100002E-02
 H   -3.717900       3.127100      0.5439000    
 H   -2.911300       2.977200      -1.042000    
 H   -4.427100       3.845000     -0.9020000    
 H   -1.791100      -1.075300       2.439100    
 H    2.318300       2.588200      0.7536000    
 H    5.862700     -0.6532000     -0.6806000    
 H    4.687300       3.301800      0.5799000    
 H    6.439400       1.714200     -0.1253000    


%chk=000045949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045949

0 1
O 3.237001 -1.830410 -0.329195
O -2.139743 0.989187 1.730717
N -4.275827 0.470934 -0.434412
C -2.121678 -0.116358 0.753555
C -2.800588 0.449330 -0.522396
C -0.696850 -0.602233 0.493252
C 1.680071 -0.150182 0.198214
C -4.913385 -0.715063 -1.058760
C -4.890787 1.772207 -0.799393
C 0.378747 0.318076 0.483665
C 1.871796 -1.537486 -0.071740
C 3.002537 0.466802 0.104518
C -0.460408 -1.981540 0.222606
C 0.832482 -2.475189 -0.066624
C 3.911282 -0.585009 -0.216191
C -6.299703 -1.044129 -0.471226
C -4.712925 2.837606 0.299191
C 3.506476 1.779435 0.255997
C 5.287795 -0.398649 -0.392244
C 4.891915 1.995583 0.084140
C 5.769854 0.922614 -0.235233
H -2.740768 -0.962302 1.121770
H -2.453799 -0.146591 -1.397068
H -2.409946 1.475041 -0.661233
H -4.992530 -0.607709 -2.172070
H -4.246793 -1.581002 -0.879262
H -4.485842 2.158059 -1.769881
H -5.971347 1.604342 -0.960233
H 0.182524 1.371674 0.707261
H -1.304494 -2.681952 0.246177
H 1.017678 -3.533380 -0.268729
H -6.221724 -1.198778 0.619204
H -7.027553 -0.231742 -0.647169
H -6.707003 -1.962491 -0.934524
H -5.220724 2.514493 1.224276
H -3.647956 2.983553 0.549571
H -5.136627 3.806746 -0.026920
H -1.795086 0.653722 2.597106
H 2.839833 2.612951 0.501375
H 5.950212 -1.233118 -0.637593
H 5.300234 3.005435 0.197849
H 6.839547 1.120816 -0.362452


