%chk=000086969.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086969

0 1
 O    4.375700      -1.357700      0.6165000    
 N   -1.827000       1.832200      0.6033000    
 C  -0.5361000     -0.7728000      0.2301000    
 C   -1.473200     -0.1492000     -0.8439000    
 C   -1.389600       1.387500     -0.7349000    
 C  -0.9423000     -0.2471000       1.635400    
 C  -0.6667000      -2.321000      0.1703000    
 C   -2.922300     -0.6605000     -0.7614000    
 C   0.9102000     -0.3044000     -3.6899999E-02
 C   2.9100001E-02   1.819500      -1.166800    
 C   -1.034000       1.284000       1.704900    
 C   -2.106300      -2.839300      0.1936000    
 C   -2.972600      -2.179200     -0.8685000    
 C    1.151800      0.9326000     -0.6772000    
 C    2.017800      -1.052000      0.4039000    
 C   -1.961200       3.281200      0.7164000    
 C    2.471700       1.361900     -0.8979000    
 C    3.323800     -0.6098000      0.1840000    
 C    3.551200      0.5941000     -0.4710000    
 H   -1.104500     -0.4388000      -1.840900    
 H   -2.093500       1.814400      -1.462700    
 H  -0.2311000     -0.5939000       2.396500    
 H   -1.916400     -0.6547000       1.929600    
 H  -0.1349000      -2.788400       1.007700    
 H  -0.1874000      -2.689300     -0.7474000    
 H   -3.511400     -0.2257000      -1.578000    
 H   -3.406500     -0.3471000      0.1703000    
 H   0.2266000       2.857700     -0.8786000    
 H   6.4099997E-02   1.795600      -2.265100    
 H   -1.505300       1.545500       2.661000    
 H  -2.9899999E-02   1.724400       1.730800    
 H   -2.548100      -2.675200       1.183100    
 H   -2.101800      -3.924200      3.5900000E-02
 H   -2.630600      -2.488300      -1.863900    
 H   -4.008100      -2.523100     -0.7673000    
 H    1.880000      -1.989000      0.9363000    
 H  -0.9969000       3.799100      0.7059000    
 H   -2.470400       3.541900       1.651100    
 H   -2.579500       3.680900     -9.4800003E-02
 H    2.661600       2.305800      -1.403700    
 H    4.562200      0.9495000     -0.6499000    
 H    5.203300     -0.9034000      0.3827000    


%chk=000086969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086969

0 1
O 4.366082 -1.470851 0.648591
N -1.815244 1.845920 0.610698
C -0.534066 -0.769419 0.221454
C -1.484677 -0.141969 -0.853264
C -1.400162 1.400182 -0.749754
C -0.946569 -0.244937 1.638544
C -0.645155 -2.324240 0.167100
C -2.936613 -0.667442 -0.773923
C 0.910441 -0.294366 -0.056316
C 0.022410 1.850668 -1.202255
C -0.987533 1.293997 1.709032
C -2.099722 -2.851791 0.226038
C -2.986404 -2.208400 -0.863868
C 1.155470 0.957959 -0.698292
C 2.014287 -1.066370 0.380198
C -2.029459 3.296759 0.732046
C 2.493077 1.380459 -0.890782
C 3.337606 -0.625308 0.180277
C 3.591571 0.608172 -0.462068
H -1.084921 -0.426081 -1.851760
H -2.135586 1.844981 -1.450968
H -0.230395 -0.628604 2.390895
H -1.945802 -0.636947 1.899643
H -0.070107 -2.774882 0.999439
H -0.172831 -2.675525 -0.773299
H -3.520517 -0.219354 -1.603545
H -3.408126 -0.315576 0.162516
H 0.205884 2.899407 -0.893399
H 0.038289 1.857587 -2.312391
H -1.443980 1.606058 2.668809
H 0.052510 1.705013 1.698787
H -2.539532 -2.647214 1.222459
H -2.088757 -3.953343 0.110497
H -2.625210 -2.530148 -1.863293
H -4.030143 -2.566378 -0.769747
H 1.873627 -2.028141 0.880600
H -1.090830 3.906423 0.698112
H -2.529224 3.516124 1.694056
H -2.689436 3.645439 -0.083301
H 2.679017 2.342138 -1.385720
H 4.618911 0.960733 -0.621817
H 5.253318 -1.077031 0.458470


