%chk=000048273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048273

0 1
 O  -5.3900000E-02  0.4122000     -0.2512000    
 O    1.528800      -1.060400      0.5531000    
 O    7.585000     -0.3581000      0.4514000    
 N   -4.859600     -0.2052000     -0.3035000    
 C   -5.996500      -1.141800     -0.2157000    
 C   -7.269900     -0.4619000     -0.7544000    
 C   -5.087500       1.056500      0.4096000    
 C   -7.562900      0.8643000     -5.9400000E-02
 C   -6.338000       1.769000     -0.1060000    
 C   -3.588600     -0.8077000      8.8600002E-02
 C   -6.242000      -1.745300       1.176000    
 C   -2.431400      0.1214000     -0.2639000    
 C   -1.088900     -0.4902000      0.1138000    
 C    1.224400      1.3000000E-03  2.6600000E-02
 C    2.196100       1.067900     -0.4192000    
 C    3.635400      0.6867000     -0.1865000    
 C    4.241700       1.015100       1.017000    
 C    4.331300      1.4000000E-02  -1.180000    
 C    5.574200      0.6629000       1.231600    
 C    5.663700     -0.3383000     -0.9652000    
 C    6.285200     -1.3800000E-02  0.2406000    
 C    8.253300      -1.048500     -0.6034000    
 H   -5.789300      -1.981500     -0.8930000    
 H   -7.147400     -0.2770000      -1.830200    
 H   -8.133100      -1.130300     -0.6520000    
 H   -4.282600       1.777900      0.2536000    
 H   -5.167400      0.8953000       1.491600    
 H   -8.410900       1.360200     -0.5450000    
 H   -7.853100      0.6870000      0.9826000    
 H   -6.523300       2.670900      0.4886000    
 H   -6.170800       2.098500      -1.139700    
 H   -3.447900      -1.755600     -0.4457000    
 H   -3.563000      -1.029000       1.162700    
 H   -7.120100      -2.400400       1.156500    
 H   -5.395500      -2.359100       1.499900    
 H   -6.418500     -0.9823000       1.939700    
 H   -2.475600       1.079100      0.2625000    
 H   -2.436600      0.3584000      -1.335500    
 H   -1.049600     -0.6735000       1.194200    
 H  -0.9471000      -1.439300     -0.4164000    
 H    2.035900       1.262100      -1.486600    
 H    1.967900       1.994600      0.1212000    
 H    3.696000       1.540100       1.795900    
 H    3.854700     -0.2446000      -2.121500    
 H    6.052800      0.9177000       2.173300    
 H    6.156600     -0.8631000      -1.776500    
 H    7.792100      -2.021800     -0.8026000    
 H    8.326300     -0.4313000      -1.505300    
 H    9.276400      -1.242800     -0.2653000    


%chk=000048273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048273

0 1
O 0.205658 1.097291 0.870405
O 1.384184 0.639923 2.829451
O 6.669350 -1.549710 -0.779870
N -4.458979 -0.201309 -0.121409
C -5.371887 -1.384714 -0.175698
C -6.333049 -1.223184 -1.382457
C -5.171262 1.096096 -0.022310
C -7.111397 0.112822 -1.338247
C -6.123663 1.295647 -1.219433
C -3.339472 -0.339891 0.837268
C -6.138993 -1.676916 1.149144
C -2.083182 0.442444 0.385175
C -0.946541 0.303525 1.397912
C 1.328383 1.172082 1.696420
C 2.450507 1.955613 1.022663
C 3.555800 1.029179 0.514927
C 4.359715 0.291258 1.426094
C 3.801348 0.885111 -0.868886
C 5.381950 -0.555573 0.964521
C 4.826688 0.037789 -1.351854
C 5.621058 -0.683304 -0.427761
C 6.955350 -1.717216 -2.205733
H -4.723854 -2.261331 -0.381162
H -5.727814 -1.253468 -2.309271
H -7.032326 -2.081231 -1.410357
H -4.420275 1.906865 -0.011610
H -5.750680 1.185324 0.933439
H -7.732718 0.218439 -2.247892
H -7.808550 0.121928 -0.476306
H -6.669551 2.251869 -1.101794
H -5.518862 1.363638 -2.144463
H -3.082133 -1.415649 0.905069
H -3.623485 -0.015704 1.871875
H -6.715719 -2.615571 1.053714
H -5.438889 -1.798199 1.996011
H -6.848515 -0.871236 1.408368
H -2.320024 1.515216 0.260092
H -1.762215 0.063428 -0.601315
H -1.217100 0.697516 2.395545
H -0.615726 -0.744849 1.521340
H 2.029686 2.544593 0.192602
H 2.858034 2.651779 1.778759
H 4.169449 0.375085 2.502003
H 3.186290 1.440133 -1.587425
H 6.006910 -1.126622 1.657888
H 4.991188 -0.047232 -2.430201
H 6.085675 -2.141365 -2.744976
H 7.248539 -0.757094 -2.674166
H 7.797898 -2.422926 -2.249186


