%chk=000045826.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045826

0 1
 O   -5.065200      -1.333500      -1.472500    
 N   -3.903500      8.8999998E-03 -8.9999998E-04
 N   -1.308400       1.172000     -0.1949000    
 C   -3.183700      0.3176000       1.225800    
 C   -3.720300       1.164700     -0.8598000    
 C   -3.624600       1.764100       1.497100    
 C   -3.984200       2.327700      0.1067000    
 C   -1.677200      0.2346000      0.8868000    
 C   -2.249300       1.135900      -1.334100    
 C   6.8400003E-02  0.9686000     -0.6320000    
 C   -4.472900      -1.179700     -0.4031000    
 C   -4.342600      -2.325100      0.5666000    
 C    1.029500       1.158700      0.5407000    
 C   -5.037600      -3.548100      1.8100001E-02
 C    2.454100      0.9449000      0.1113000    
 C    3.245200     -9.7000003E-03  0.6256000    
 C    4.647500     -0.2461000      0.2439000    
 C    5.114000      0.2426000     -0.9663000    
 C    5.475700     -0.9522000       1.102100    
 C    6.442700      1.9200001E-02  -1.327700    
 C    6.804400      -1.175400      0.7408000    
 C    7.287800     -0.6898000     -0.4742000    
 H   -3.434600     -0.3547000       2.049400    
 H   -4.404800       1.155700      -1.713300    
 H   -2.859000       2.358300       2.006200    
 H   -4.522200       1.771700       2.127100    
 H   -5.048200       2.593400      9.4499998E-02
 H   -3.415800       3.229600     -0.1414000    
 H   -1.146600      0.4801000       1.811900    
 H   -1.425500     -0.7960000      0.6047000    
 H   -2.085200      0.2288000      -1.931000    
 H   -2.065600       2.000700      -1.982500    
 H   0.3161000       1.698000      -1.414200    
 H   0.1970000     -3.0200001E-02  -1.070300    
 H   -3.282600      -2.540600      0.7339000    
 H   -4.804200      -2.046700       1.519300    
 H   0.9356000       2.173500      0.9467000    
 H   0.8217000      0.4634000       1.359600    
 H   -4.949400      -4.380600      0.7235000    
 H   -4.596700      -3.868000     -0.9324000    
 H   -6.104500      -3.363500     -0.1490000    
 H    2.819800       1.648100     -0.6309000    
 H    2.847900     -0.6719000       1.391800    
 H    4.487300      0.7797000      -1.671100    
 H    5.114500      -1.335800       2.052600    
 H    6.818400      0.3927000      -2.275900    
 H    7.462700      -1.727400       1.405300    
 H    8.322000     -0.8649000     -0.7561000    


%chk=000045826-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045826

0 1
O -5.304464 -1.229280 -1.586922
N -4.035462 -0.063030 -0.039787
N -1.269403 0.730946 -0.188204
C -3.263238 0.190106 1.201310
C -3.620950 1.029053 -0.955887
C -3.473723 1.721237 1.410594
C -3.710726 2.281070 -0.034691
C -1.774742 -0.140335 0.902131
C -2.159829 0.734068 -1.382390
C 0.148260 0.487080 -0.538456
C -4.820854 -1.138505 -0.412586
C -5.087311 -2.195982 0.674571
C 1.132933 0.889371 0.592881
C -6.045676 -3.297460 0.187756
C 2.568796 0.882172 0.120647
C 3.547325 0.079653 0.629149
C 4.965273 0.017918 0.216237
C 5.511309 0.815497 -0.831341
C 5.837647 -0.880513 0.893896
C 6.872323 0.715718 -1.181823
C 7.201304 -0.981520 0.544477
C 7.726765 -0.182819 -0.496686
H -3.625477 -0.420505 2.043286
H -4.284194 1.051353 -1.834112
H -2.590825 2.179594 1.886323
H -4.353174 1.898082 2.054453
H -4.708117 2.745603 -0.122321
H -2.947382 3.027894 -0.308495
H -1.170653 0.032986 1.811105
H -1.696058 -1.228486 0.642116
H -2.148123 -0.241095 -1.929287
H -1.801859 1.517410 -2.076996
H 0.375797 1.097541 -1.434441
H 0.335097 -0.580122 -0.821137
H -4.120442 -2.641966 0.986090
H -5.501257 -1.697638 1.574421
H 0.842671 1.906439 0.928065
H 1.026867 0.212494 1.461645
H -6.197997 -4.055863 0.977256
H -5.644538 -3.793528 -0.711712
H -7.024694 -2.871400 -0.088988
H 2.803303 1.582116 -0.696406
H 3.269280 -0.605338 1.445517
H 4.868999 1.517030 -1.375358
H 5.436206 -1.503557 1.703268
H 7.272343 1.337913 -1.990666
H 7.852009 -1.680509 1.081942
H 8.784565 -0.257591 -0.772048


