%chk=000120925.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120925

1 1
 O  -0.1624000       4.303700      -1.156900    
 N   -1.598000      -1.277000     -4.7100000E-02
 N    2.329600       1.393000      0.3627000    
 C  -0.4037000     -0.7211000     -0.8856000    
 C   0.6494000     -0.2796000      0.1684000    
 C  -0.9627000      -1.709700       1.273100    
 C   7.4400000E-02 -0.6490000       1.552200    
 C  -0.9164000      0.4320000      -1.758600    
 C   -2.716400     -0.2138000      0.1766000    
 C   -1.261200       1.637800     -0.8553000    
 C   0.9800000       1.236300      0.1253000    
 C   -2.217500      -2.493500     -0.7283000    
 C    2.041000     -0.8721000      3.1199999E-02
 C   -2.261200       1.224700      0.2092000    
 C   5.2499998E-02   2.123800     -0.2739000    
 C    2.980600      0.1681000      0.1994000    
 C   -3.331200      -3.042100      0.1492000    
 C    2.447500      -2.181200     -0.1518000    
 C   -2.731300       2.083900       1.127000    
 C   0.3722000       3.552000     -0.3516000    
 C    4.336800     -8.9500003E-02  0.2166000    
 C   -3.952700      -4.286200     -0.4646000    
 C    3.819200      -2.444200     -0.1580000    
 C    4.754000      -1.409800      2.8800000E-02
 C   -2.322500       3.513300       1.212100    
 H  -3.8800001E-02  -1.545300      -1.508900    
 H  -0.4909000      -2.687500       1.123700    
 H   -1.719200      -1.770100       2.060800    
 H  -0.4029000      0.2093000       2.039900    
 H   0.8250000      -1.021800       2.259400    
 H   -1.787400      0.1216000      -2.349500    
 H  -0.1441000      0.7128000      -2.487900    
 H   -3.242900     -0.4847000       1.098800    
 H   -3.420400     -0.3144000     -0.6595000    
 H   -1.716300       2.395400      -1.504800    
 H   -1.425000      -3.236000     -0.8792000    
 H   -2.590200      -2.174000      -1.708200    
 H    2.797400       2.282000      0.2836000    
 H   -2.968100      -3.320100       1.143300    
 H   -4.140500      -2.318900      0.2869000    
 H    1.731100      -2.986000     -0.2716000    
 H   -3.438900       1.735200       1.874900    
 H    1.173500       3.907200      0.3168000    
 H    5.062500      0.7036000      0.3602000    
 H   -4.753300      -4.668100      0.1768000    
 H   -4.381400      -4.066100      -1.447600    
 H   -3.207100      -5.078800     -0.5844000    
 H    4.170800      -3.463200     -0.2976000    
 H    5.815600      -1.643100      2.8500000E-02
 H   -3.097000       4.064200       1.759300    
 H   -2.261000       3.994600      0.2346000    
 H   -1.395400       3.630500       1.778900    


%chk=000120925-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120925

1 1
O -0.360338 4.513991 -0.927904
N -1.611399 -1.231860 0.018753
N 2.446038 1.357097 0.131537
C -0.443956 -0.658255 -0.878136
C 0.691786 -0.219483 0.115753
C -0.940111 -1.572023 1.358808
C 0.091143 -0.462783 1.561567
C -0.977762 0.496321 -1.742135
C -2.728375 -0.151434 0.198171
C -1.249608 1.717387 -0.816249
C 1.069275 1.261211 -0.035495
C -2.208764 -2.486815 -0.647317
C 2.047196 -0.918579 -0.006182
C -2.225907 1.276881 0.293523
C 0.125242 2.225926 -0.351406
C 3.059628 0.073254 0.100061
C -3.356244 -3.153259 0.131025
C 2.401324 -2.274193 -0.086721
C -2.774458 2.090063 1.241827
C 0.456562 3.637007 -0.509853
C 4.425869 -0.251671 0.138456
C -3.824742 -4.427685 -0.610353
C 3.777093 -2.624977 -0.063769
C 4.770359 -1.623879 0.053572
C -2.578540 3.575533 1.396954
H -0.101534 -1.506870 -1.493897
H -0.460950 -2.559740 1.243743
H -1.701241 -1.629755 2.151185
H -0.387218 0.455635 1.935118
H 0.879237 -0.764910 2.268500
H -1.877775 0.181687 -2.302642
H -0.213683 0.759608 -2.493749
H -3.313346 -0.437781 1.086907
H -3.377751 -0.275251 -0.688971
H -1.701448 2.549108 -1.391047
H -1.372457 -3.198911 -0.773482
H -2.548719 -2.176990 -1.652422
H 2.969304 2.230421 0.080800
H -3.024334 -3.427397 1.150162
H -4.211832 -2.462036 0.236164
H 1.644487 -3.063426 -0.176991
H -3.460010 1.628267 1.971260
H 1.500768 3.937939 -0.239368
H 5.201684 0.515757 0.222331
H -4.653275 -4.906468 -0.062344
H -4.188805 -4.194542 -1.627355
H -3.010357 -5.169470 -0.699025
H 4.073257 -3.675635 -0.138220
H 5.826367 -1.911679 0.073175
H -3.556470 4.070097 1.545494
H -2.079734 4.043389 0.534298
H -1.980379 3.799279 2.303187


