%chk=000043179.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043179

1 1
 O   -2.424000       3.019300       1.342900    
 N   -2.029300      -1.665300      0.1608000    
 C  -0.7323000      -1.668100      0.8762000    
 C   0.3506000      -1.006700      3.1900000E-02
 C    1.747300     -0.9479000      0.6607000    
 C   -2.586700     -0.2473000     -0.1166000    
 C   -3.086900      -2.411700      0.9970000    
 C   -1.874000      -2.365000      -1.203400    
 C    2.804200     -0.3339000     -0.2597000    
 C    4.155100     -0.2160000      0.4498000    
 C    5.221900      0.3675000     -0.4783000    
 C   -2.231800      0.7132000      0.7577000    
 C   -3.369500     -0.1184000      -1.204600    
 C    6.578900      0.4537000      0.2198000    
 C   -2.733400       1.990500      0.5074000    
 C   -3.871500       1.158700      -1.454800    
 C   -3.553300       2.213300     -0.5989000    
 C    7.634700       1.064200     -0.6880000    
 H  -0.8310000      -1.231600       1.875200    
 H  -0.4554000      -2.718200       1.043400    
 H   7.9899997E-02  1.6000001E-02 -0.2485000    
 H   0.4795000      -1.553200     -0.9092000    
 H    1.688700     -0.3659000       1.588800    
 H    2.057500      -1.961900      0.9417000    
 H   -3.185900      -1.905400       1.962200    
 H   -4.038500      -2.407200      0.4566000    
 H   -2.738400      -3.439300       1.138500    
 H   -1.241900      -3.248000      -1.053400    
 H   -2.847800      -2.731200      -1.545100    
 H   -1.407100      -1.697800      -1.935200    
 H    2.908700     -0.9520000      -1.159400    
 H    2.474900      0.6600000     -0.5858000    
 H    4.473600      -1.206600      0.7968000    
 H    4.051300      0.4199000       1.337400    
 H    4.912600       1.366700     -0.8086000    
 H    5.311200     -0.2563000      -1.376100    
 H   -1.625100      0.5718000       1.640300    
 H   -3.681800     -0.9029000      -1.878600    
 H    6.492600       1.061400       1.128100    
 H    6.903400     -0.5469000      0.5284000    
 H   -4.517500       1.331300      -2.310900    
 H   -3.949000       3.205500     -0.7980000    
 H    7.355700       2.079600     -0.9870000    
 H    8.597100       1.115400     -0.1691000    
 H    7.768300      0.4636000      -1.593400    
 H   -1.846100       2.689200       2.052100    


%chk=000043179-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043179

1 1
O -3.167013 2.898228 1.741836
N -2.110170 -1.711732 0.149605
C -0.655135 -1.690632 0.727914
C 0.398387 -1.074815 -0.200768
C 1.743068 -0.905345 0.555722
C -2.602706 -0.289889 -0.125251
C -3.037612 -2.374974 1.179020
C -2.120863 -2.589643 -1.099142
C 2.869633 -0.378437 -0.362863
C 4.205770 -0.169873 0.385612
C 5.341678 0.330537 -0.535431
C -2.631467 0.614727 0.962901
C -3.030521 0.093021 -1.409476
C 6.677455 0.548988 0.211765
C -3.100080 1.933828 0.744233
C -3.496535 1.419358 -1.601292
C -3.534909 2.339249 -0.543487
C 7.809926 1.036734 -0.716999
H -0.710156 -1.126275 1.673429
H -0.416962 -2.742782 0.968592
H 0.060295 -0.085587 -0.563077
H 0.570357 -1.716432 -1.085438
H 1.604334 -0.204030 1.403957
H 2.055905 -1.875955 0.992959
H -2.994074 -1.818553 2.125034
H -4.066282 -2.357357 0.789590
H -2.704222 -3.411883 1.341123
H -1.712262 -3.573541 -0.823105
H -3.154392 -2.705428 -1.456413
H -1.495045 -2.139483 -1.879790
H 3.026675 -1.091110 -1.198599
H 2.553772 0.580816 -0.822351
H 4.515776 -1.123802 0.860898
H 4.057429 0.557227 1.210956
H 5.034660 1.281782 -1.018118
H 5.499031 -0.399335 -1.356696
H -2.300055 0.325439 1.966723
H -3.018075 -0.585880 -2.263306
H 6.523855 1.284448 1.027570
H 6.981959 -0.399071 0.700157
H -3.831488 1.727334 -2.596064
H -3.892117 3.362994 -0.681104
H 7.546710 1.998750 -1.195474
H 8.751980 1.185433 -0.159326
H 8.007239 0.304081 -1.521864
H -2.864252 2.574971 2.626940


