%chk=000180315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180315

0 1
O -3.815115 1.004597 1.743687
O 2.438923 -2.580643 0.804084
O 3.443778 2.107410 0.497745
O 4.283990 -0.349404 1.093200
N -1.462355 -2.037328 -0.559813
C -1.102415 0.323284 -0.730682
C -1.947630 -0.748658 0.054962
C -1.130510 -0.216838 -2.194040
C -1.377330 -1.738705 -2.037055
C -3.454708 -0.551656 -0.133032
C 0.330822 0.195631 -0.221394
C -0.098860 -2.312854 0.000966
C -1.688617 1.699647 -0.627753
C 0.795488 -1.093518 0.094038
C -3.868573 0.863018 0.298324
C -2.919809 1.940032 -0.169512
C 1.176719 1.308025 -0.102082
C 2.127898 -1.271208 0.537283
C 2.485737 1.123026 0.338031
C 2.982755 -0.160775 0.663195
C -4.898536 0.374003 2.447328
C 3.782528 -2.877186 1.271071
C 3.009673 3.484450 0.384775
H -1.723835 -0.715399 1.148872
H -0.187293 -0.006279 -2.720537
H -1.931773 0.263511 -2.776129
H -2.341432 -2.041991 -2.490663
H -0.588477 -2.338466 -2.524853
H -3.997674 -1.315205 0.457192
H -3.751362 -0.721217 -1.185180
H 0.398587 -3.106215 -0.600677
H -0.236704 -2.748647 1.018876
H -1.042299 2.509743 -0.969312
H -4.906895 1.078923 -0.043212
H -3.312219 2.951862 -0.074479
H 0.808718 2.299229 -0.348696
H -4.890441 -0.707914 2.283203
H -5.856584 0.813263 2.156350
H -4.666527 0.605533 3.494635
H 4.737930 0.534645 1.185099
H 3.741330 -3.964346 1.394489
H 3.970063 -2.362954 2.219620
H 4.516089 -2.576649 0.515245
H 2.224215 3.697186 1.116422
H 2.682165 3.690221 -0.638521
H 3.931867 4.030118 0.622330


%chk=000180315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180315

0 1
O -3.838187 0.832639 1.924746
O 2.577179 -2.619028 0.606588
O 3.569777 2.124153 0.421330
O 4.439877 -0.330277 0.840368
N -1.429409 -1.993301 -0.642665
C -1.096839 0.376593 -0.722847
C -1.924625 -0.739830 0.003293
C -1.175397 -0.100887 -2.227442
C -1.385125 -1.657606 -2.108527
C -3.436120 -0.526907 -0.157949
C 0.368784 0.231514 -0.256781
C -0.070993 -2.303338 -0.103801
C -1.697168 1.750693 -0.512489
C 0.851166 -1.079653 0.002586
C -3.859437 0.834968 0.435350
C -2.937814 1.956684 0.002235
C 1.241477 1.340892 -0.122934
C 2.200387 -1.278211 0.410828
C 2.575069 1.127358 0.260486
C 3.078732 -0.174554 0.517846
C -4.988352 0.146459 2.514907
C 3.560200 -2.940656 1.661387
C 3.186606 3.511705 0.168785
H -1.690020 -0.757174 1.082906
H -0.254177 0.157895 -2.775708
H -2.026366 0.381588 -2.742433
H -2.342411 -1.950828 -2.576428
H -0.581823 -2.234359 -2.597257
H -3.976581 -1.356427 0.333750
H -3.724031 -0.547897 -1.227108
H 0.393019 -3.080300 -0.736066
H -0.186753 -2.761020 0.897963
H -1.111204 2.626256 -0.825681
H -4.900876 1.067841 0.112776
H -3.312977 2.977533 0.145036
H 0.877786 2.355268 -0.299369
H -4.988578 -0.941563 2.295916
H -5.947278 0.582597 2.159958
H -4.901239 0.292953 3.603538
H 4.843619 0.579629 0.844867
H 3.574305 -4.040896 1.699787
H 3.230460 -2.532107 2.635535
H 4.555350 -2.540387 1.414287
H 2.386416 3.833531 0.862449
H 2.849893 3.645661 -0.877298
H 4.094980 4.106102 0.346682


