%chk=000128745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128745

0 1
 O   -1.192200      2.0600000E-02 -8.2599998E-02
 O    1.905600      -2.836700      0.1515000    
 O   0.2541000      -2.330000      -1.382300    
 O   -2.096600       1.655000      -1.428000    
 N    2.606700       1.203400      0.6070000    
 C    2.581600     -0.1134000     -6.1600000E-02
 C    1.954900       2.083300     -0.3818000    
 C    1.129800     -0.6283000      8.3099999E-02
 C    2.968300      0.2010000      -1.515300    
 C    2.546900       1.655700      -1.727100    
 C   0.4450000       1.787000     -0.3034000    
 C   0.1108000      0.3116000     -0.5827000    
 C    3.957500       1.640000      0.9507000    
 C    1.023800      -2.014300     -0.4851000    
 C    4.592900      0.7285000       1.955100    
 C   -2.205300      0.7702000     -0.5933000    
 C    5.715500      3.5999998E-02   1.731700    
 C    1.909600      -4.196600     -0.2939000    
 C   -3.503800      0.3718000      6.6999998E-03
 C   -4.496500       1.321100      0.1387000    
 C   -3.677600     -0.9354000      0.4131000    
 C   -5.716400      0.9469000      0.7022000    
 C   -4.897600      -1.309400      0.9765000    
 C   -5.917000     -0.3682000       1.120900    
 H    3.273600     -0.8395000      0.3751000    
 H    2.120600       3.147300     -0.1784000    
 H   0.8712000     -0.7200000       1.148600    
 H    4.053000      0.1130000      -1.651400    
 H    2.495100     -0.4663000      -2.242100    
 H    3.427800       2.259900      -1.973900    
 H    1.836800       1.757300      -2.554400    
 H   6.6399999E-02   2.075300      0.6871000    
 H  -4.4399999E-02   2.453100      -1.020300    
 H   0.1017000      0.1465000      -1.668700    
 H    4.603300       1.747500      7.0799999E-02
 H    3.900800       2.634700       1.410900    
 H    4.109600      0.6343000       2.924600    
 H    6.238700      9.4099998E-02  0.7837000    
 H    6.127200     -0.6062000       2.502500    
 H    2.652700      -4.744000      0.2922000    
 H   0.9282000      -4.651600     -0.1301000    
 H    2.188500      -4.247700      -1.350600    
 H   -4.351000       2.348800     -0.1806000    
 H   -2.905200      -1.690100      0.2992000    
 H   -6.510000       1.679800      0.8154000    
 H   -5.055300      -2.334100       1.299900    
 H   -6.867000     -0.6597000       1.559000    


%chk=000128745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128745

0 1
O -1.103152 0.187776 0.102125
O 1.170061 -2.901790 0.226409
O 0.646431 -1.994321 -1.851779
O -2.131328 1.413183 -1.599058
N 2.869838 1.208111 0.640297
C 2.692138 -0.022212 -0.191868
C 2.139628 2.231970 -0.178709
C 1.217346 -0.507889 0.048290
C 2.938904 0.436020 -1.673780
C 2.581105 1.961015 -1.662404
C 0.624279 1.986511 0.030993
C 0.236431 0.572081 -0.446531
C 4.294369 1.549946 0.919512
C 0.962510 -1.834104 -0.649040
C 4.908515 0.573428 1.900508
C -2.220176 0.668061 -0.590707
C 6.099901 -0.051705 1.728564
C 0.991175 -4.254103 -0.358457
C -3.499143 0.190491 0.012391
C -4.714932 0.606844 -0.589890
C -3.526436 -0.656009 1.151280
C -5.948562 0.179378 -0.058355
C -4.763750 -1.080830 1.679920
C -5.975315 -0.664998 1.077665
H 3.388223 -0.809556 0.141439
H 2.399867 3.248013 0.165511
H 1.103322 -0.650497 1.135571
H 3.996709 0.277104 -1.948013
H 2.325666 -0.138269 -2.389310
H 3.459068 2.577651 -1.924593
H 1.777616 2.209884 -2.377553
H 0.401034 2.078376 1.109362
H 0.025794 2.733721 -0.519558
H 0.152431 0.541523 -1.547882
H 4.931084 1.609268 0.004126
H 4.288414 2.561061 1.375314
H 4.312675 0.392934 2.806988
H 6.705954 0.102043 0.826369
H 6.507208 -0.729515 2.486974
H 1.198534 -4.946667 0.469047
H -0.040380 -4.372376 -0.730013
H 1.695207 -4.406617 -1.193726
H -4.667087 1.258756 -1.468451
H -2.582823 -0.970520 1.605443
H -6.885833 0.500710 -0.525289
H -4.785703 -1.734403 2.558796
H -6.934516 -0.997279 1.490673


