%chk=000160297.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160297

0 1
 O    4.704300     -0.7217000      0.1983000    
 O    6.565500      -1.976500       1.038100    
 N   -2.847300      -1.013900       1.290400    
 N   -5.474900       1.472500     -0.8267000    
 N    4.978000       1.466500      -1.156900    
 N    3.926200       1.724000      -1.348200    
 C  -8.0700003E-02  -1.777200      0.6276000    
 C   -1.116900      -2.722500       1.243300    
 C    1.342400      -2.191600       1.006500    
 C   -2.549100      -2.343300      0.8752000    
 C    2.375500      -1.231500      0.4207000    
 C   -3.738400     -0.1708000      0.5724000    
 C   -4.663200     -0.7336000     -0.3131000    
 C   -3.682700       1.214200      0.7577000    
 C    3.796500      -1.660900      0.7572000    
 C   -5.524400      0.1377000      -1.001500    
 C   -4.582200       2.009200      2.7500000E-02
 C   -4.741300      -2.122000     -0.5186000    
 C   -2.763600       1.806600       1.641200    
 C   -6.447300     -0.4164000      -1.884500    
 C   -4.531700       3.389000      0.2077000    
 C   -5.673000      -2.650600      -1.407000    
 C   -2.733600       3.188500       1.803300    
 C   -6.527700      -1.795700      -2.091100    
 C   -3.619600       3.981000       1.084800    
 C    6.087400     -0.9865000      0.4063000    
 C    6.834100     -2.3200000E-02 -0.1726000    
 C    6.355400       1.129300     -0.9057000    
 C    8.284400      4.1600000E-02 -0.1703000    
 C    7.424300       1.828100      -1.310500    
 C    8.623700       1.149500     -0.8516000    
 H  -0.2528000     -0.7498000      0.9689000    
 H  -0.1841000      -1.777100     -0.4642000    
 H   -1.006300      -2.710000       2.335400    
 H  -0.9202000      -3.750800      0.9155000    
 H    1.441700      -2.214100       2.098600    
 H    1.535800      -3.208300      0.6430000    
 H   -3.164300      -3.069000       1.419000    
 H   -2.514600      -2.467400     -0.2130000    
 H    2.264300      -1.172100     -0.6693000    
 H    2.203500     -0.2146000      0.7953000    
 H   -2.441800     -0.6753000       2.152900    
 H    3.981800      -2.657800      0.3386000    
 H    3.918000      -1.694700       1.846900    
 H   -4.356200      -2.934600      5.9400000E-02
 H   -2.042500       1.233500       2.215400    
 H   -7.129800      0.2325000      -2.430600    
 H   -5.215600       4.031500     -0.3440000    
 H   -5.768700      -3.725500      -1.531800    
 H   -2.020900       3.644300       2.483800    
 H   -7.266300      -2.198600      -2.777900    
 H   -3.604000       5.060400       1.203200    
 H    8.967700     -0.6562000      0.2853000    
 H    7.423400       2.742500      -1.881300    
 H    9.625600       1.500300      -1.040700    


%chk=000160297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160297

0 1
O 4.609848 -0.590977 0.234457
O 6.417649 -1.274258 1.560013
N -3.141936 -1.391386 1.440811
N -4.995471 1.609260 -1.021534
N 5.030372 1.212117 -1.833939
N 3.932166 1.280087 -2.241930
C -0.160169 -1.995982 0.763505
C -1.170546 -2.914188 1.487541
C 1.289160 -2.186381 1.263203
C -2.633708 -2.716720 1.026592
C 2.298071 -1.286010 0.512350
C -3.791885 -0.442043 0.656545
C -4.710422 -0.796285 -0.394822
C -3.555191 0.962395 0.911705
C 3.722507 -1.479196 1.034313
C -5.243777 0.277432 -1.230138
C -4.201313 1.940331 0.046932
C -5.188632 -2.134729 -0.629337
C -2.691176 1.444726 1.954869
C -6.116504 -0.062066 -2.324821
C -3.983637 3.341268 0.297302
C -6.064344 -2.420400 -1.674780
C -2.501588 2.809665 2.170293
C -6.510887 -1.376235 -2.552263
C -3.162084 3.770444 1.335162
C 5.970673 -0.583159 0.609284
C 6.745501 0.315596 -0.244823
C 6.276598 1.134653 -1.370539
C 8.123296 0.566365 -0.141587
C 7.405049 1.867497 -1.923797
C 8.523945 1.509402 -1.162074
H -0.456476 -0.934966 0.888769
H -0.203069 -2.200439 -0.325958
H -1.105020 -2.758268 2.586417
H -0.897312 -3.974396 1.314497
H 1.334959 -1.968867 2.351027
H 1.582149 -3.250525 1.145385
H -3.261229 -3.530956 1.445027
H -2.684855 -2.788984 -0.074242
H 2.271831 -1.515744 -0.570402
H 2.009283 -0.222984 0.622732
H -2.710320 -1.038864 2.296268
H 4.071925 -2.522313 0.916526
H 3.818856 -1.205239 2.101644
H -4.902116 -2.940437 0.050873
H -2.151617 0.746241 2.607332
H -6.469139 0.767002 -2.946017
H -4.494328 4.043822 -0.368446
H -6.427218 -3.443925 -1.819099
H -1.839774 3.150860 2.973798
H -7.184570 -1.615267 -3.382697
H -3.008953 4.840534 1.513398
H 8.767566 0.103175 0.607057
H 7.354822 2.554638 -2.768594
H 9.536842 1.883582 -1.315489


