%chk=000060845.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060845

0 1
 O    2.514200      -2.732400       1.901200    
 N   -2.452000     -0.4900000      0.2541000    
 N    2.298000       2.957300     -0.8560000    
 N    2.648400      -3.342400     -0.3053000    
 C   -1.131600      0.1316000      0.3525000    
 C  -2.4599999E-02 -0.9552000      0.1286000    
 C   -1.039300       1.363100     -0.6122000    
 C    1.346500     -0.3314000      6.6100001E-02
 C   0.3621000       1.873200     -0.6627000    
 C    1.425300       1.006600     -0.3349000    
 C   -2.700200     -0.9484000      -1.112100    
 C   -3.491100      0.4488000      0.6753000    
 C    2.625200       1.679300     -0.4569000    
 C    2.552600     -0.9891000      0.3179000    
 C   0.9279000       3.084100     -0.9857000    
 C   -4.064300      -1.627700      -1.203400    
 C   -3.282800      0.8506000       2.133300    
 C    3.839200       1.043800     -0.1932000    
 C    3.773700     -0.3074000      0.1943000    
 C    2.575200      -2.392100      0.7076000    
 C   -4.338000      -2.133500      -2.611500    
 C   -4.364400       1.811200       2.603000    
 H  -0.9219000      0.4821000       1.368600    
 H  -0.1367000      -1.501200     -0.8111000    
 H  -7.4900001E-02  -1.681400      0.9490000    
 H   -1.683400       2.181800     -0.2742000    
 H   -1.294700       1.133200      -1.648900    
 H   -2.715300     -0.1422000      -1.850200    
 H   -1.969300      -1.689700      -1.441900    
 H   -3.587000       1.325500      2.5400000E-02
 H   -4.471700     -3.5599999E-02  0.6801000    
 H   0.4952000       4.024500      -1.296300    
 H    2.963300       3.697200      -1.032800    
 H   -4.123400      -2.466500     -0.4996000    
 H   -4.890000     -0.9455000     -0.9831000    
 H   -3.278600     -3.5300002E-02   2.779700    
 H   -2.343600       1.384700       2.295500    
 H    4.788500       1.558800     -0.2861000    
 H    4.707400     -0.8295000      0.3982000    
 H   -4.331900      -1.311300      -3.334500    
 H   -3.585400      -2.866900      -2.918500    
 H   -5.318900      -2.617500      -2.657200    
 H   -4.364200       2.727400       2.003500    
 H   -5.355800       1.352900       2.530200    
 H   -4.197400       2.089800       3.648400    
 H    2.690100      -3.082900      -1.285800    
 H    2.660600      -4.334000     -9.0800002E-02


%chk=000060845-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060845

0 1
O 1.309890 -2.897036 1.414704
N -2.557032 -0.068161 -0.049002
N 2.631893 2.940803 -1.060370
N 3.411513 -3.273837 0.528492
C -1.158617 0.426656 -0.051335
C -0.146219 -0.760392 -0.158016
C -0.889974 1.559659 -1.113109
C 1.303524 -0.290057 -0.112091
C 0.556129 1.978488 -1.034929
C 1.532778 1.031110 -0.556661
C -3.089375 -0.569987 -1.335746
C -3.493646 0.767624 0.740070
C 2.823380 1.641989 -0.581007
C 2.446245 -1.028173 0.299492
C 1.255711 3.144604 -1.331860
C -4.093108 -1.731823 -1.154253
C -3.473916 0.430388 2.249195
C 3.961056 0.919465 -0.153429
C 3.744499 -0.405388 0.273827
C 2.322660 -2.444987 0.792041
C -4.658535 -2.231623 -2.501262
C -4.406652 1.346993 3.069924
H -0.989315 0.883637 0.944575
H -0.315924 -1.308222 -1.109319
H -0.351212 -1.476685 0.652400
H -1.578409 2.408305 -0.937607
H -1.120334 1.161992 -2.122763
H -3.577530 0.238092 -1.938547
H -2.243614 -0.942274 -1.944950
H -3.284768 1.858774 0.610045
H -4.519346 0.606037 0.356233
H 0.903892 4.101732 -1.712877
H 3.359419 3.640885 -1.185817
H -3.579804 -2.552535 -0.618761
H -4.926580 -1.405031 -0.501294
H -3.763348 -0.630369 2.371466
H -2.437178 0.513165 2.630270
H 4.965081 1.356195 -0.133321
H 4.603359 -0.969016 0.656765
H -5.187161 -1.421547 -3.039641
H -3.850172 -2.600267 -3.161372
H -5.374165 -3.060455 -2.352430
H -4.107118 2.408781 2.978543
H -5.455065 1.264183 2.724362
H -4.384703 1.082172 4.142563
H 4.173266 -2.991718 -0.084744
H 3.369525 -4.233742 0.869147


