%chk=000169779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169779

1 1
 O    2.700300       1.418200      -1.747500    
 O   0.4598000     -0.9045000     -0.1192000    
 O  -0.7973000       1.838700     -0.4523000    
 O  -0.5282000      -2.391000      -1.581400    
 O   -3.826500      0.8858000       1.242100    
 O   -1.365800       1.722000       1.778300    
 N    3.426300      6.4700000E-02  0.2924000    
 C    2.265000      0.6805000     -0.6009000    
 C    1.479600     -0.5638000      -1.076100    
 C    3.304900      -1.456300      0.1716000    
 C    2.537800      -1.660600      -1.120500    
 C    3.122000      0.6033000       1.702300    
 C    1.514200       1.621000      0.3133000    
 C    4.802800      0.5254000     -0.1633000    
 C    2.002500       1.575900       1.559900    
 C   0.4247000       2.536400     -0.1438000    
 C  -0.5139000      -1.764000     -0.5300000    
 C   -1.623800      -1.799400      0.5031000    
 C   -2.961200      -1.416700     -0.1504000    
 C   -1.683900      -3.195300       1.116600    
 C   -1.646900       1.592200      0.5921000    
 C   -3.038600       1.198500      9.0200000E-02
 C   -2.981700     -3.7400000E-02 -0.8028000    
 C  -0.3874000      -3.547500       1.820900    
 C   -3.684000       2.440600     -0.5474000    
 C   -3.000800      3.3300001E-02  -2.147200    
 H    1.025900     -0.4020000      -2.061700    
 H    2.736100      -1.834300       1.027400    
 H    4.301200      -1.908300      0.1654000    
 H    3.199000      -1.526600      -1.984000    
 H    2.117200      -2.669300      -1.161100    
 H    4.022100       1.086600       2.095200    
 H    2.842800     -0.2279000       2.356200    
 H    5.544000      0.1133000      0.5280000    
 H    4.981400      0.1508000      -1.174900    
 H    4.828800       1.618700     -0.1431000    
 H    1.638200       2.177000       2.381300    
 H    3.130400      0.7994000      -2.361200    
 H   0.2212000       3.321300      0.5960000    
 H   0.7342000       3.058900      -1.055200    
 H   -1.400400      -1.080500       1.300400    
 H   -3.766900      -1.479200      0.5915000    
 H   -3.217200      -2.178700     -0.9007000    
 H   -1.890200      -3.950800      0.3486000    
 H   -2.505200      -3.242500       1.841700    
 H   0.4488000      -3.635500       1.120400    
 H  -0.1287000      -2.797200       2.575200    
 H  -0.4890000      -4.511700       2.329700    
 H   -3.107400       2.831700      -1.392100    
 H   -4.703200       2.221700     -0.8868000    
 H   -3.769900       3.253100      0.1849000    
 H   -3.024900      0.9754000      -2.681400    
 H   -2.978200     -0.8629000      -2.759300    
 H   -3.898700       1.684700       1.791800    


%chk=000169779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169779

1 1
O 2.896668 1.343114 -1.797147
O 0.504782 -0.864179 -0.091553
O -0.766430 1.953964 -0.673066
O -0.444588 -2.371039 -1.593461
O -3.506978 0.667117 1.409392
O -1.188188 2.071080 1.611189
N 3.422002 0.092859 0.348574
C 2.270190 0.693318 -0.696735
C 1.523709 -0.597556 -1.123989
C 3.343535 -1.445770 0.213339
C 2.606135 -1.695586 -1.113475
C 3.024740 0.637345 1.738374
C 1.564248 1.711623 0.169605
C 4.802192 0.603743 -0.028889
C 1.968456 1.673876 1.459705
C 0.541302 2.648479 -0.414699
C -0.531999 -1.770675 -0.505257
C -1.660511 -1.827764 0.500081
C -2.983266 -1.413823 -0.230457
C -1.787119 -3.261152 1.094294
C -1.549774 1.740623 0.456083
C -2.965237 1.173860 0.144198
C -2.960674 -0.017289 -0.837112
C -0.556626 -3.705339 1.911766
C -3.821111 2.375237 -0.346610
C -2.957357 0.162199 -2.182427
H 1.023286 -0.479915 -2.102311
H 2.754382 -1.833604 1.057529
H 4.361337 -1.862824 0.250378
H 3.282154 -1.599714 -1.984780
H 2.155946 -2.698544 -1.159539
H 3.917777 1.046443 2.241723
H 2.631478 -0.193041 2.350196
H 5.520114 0.245202 0.725723
H 5.083371 0.223521 -1.021164
H 4.786892 1.702619 -0.058476
H 1.553965 2.294576 2.257214
H 2.952576 0.768870 -2.604579
H 0.362524 3.495576 0.267670
H 0.838949 3.007178 -1.411675
H -1.455208 -1.110847 1.314678
H -3.788699 -1.476421 0.520909
H -3.184400 -2.151283 -1.028038
H -1.977064 -3.975586 0.270747
H -2.684394 -3.268349 1.741053
H 0.352200 -3.766829 1.281347
H -0.355607 -3.005652 2.744494
H -0.719721 -4.706785 2.346849
H -3.448266 2.793741 -1.295920
H -4.856842 2.027114 -0.487980
H -3.820447 3.179091 0.412131
H -2.956019 1.149552 -2.653762
H -2.960375 -0.699449 -2.858998
H -3.266713 1.302296 2.135055


