%chk=000018222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018222

1 1
 O   0.9919000       1.082700       1.248600    
 N  -0.9727000       2.408300     -0.2753000    
 N    2.228600      0.6734000     -0.7070000    
 C   -1.667100       1.057400     -0.3690000    
 C   0.4625000       2.276300     -0.7641000    
 C   -1.711800       3.419900      -1.139500    
 C  -0.9743000       2.880000       1.171700    
 C   -3.108900       1.169900      0.1143000    
 C    1.241700       1.280000      6.4099997E-02
 C   -3.851800     -0.1433000      0.1121000    
 C    3.160900     -0.3094000     -0.2972000    
 C   -4.859500     -0.3562000       1.040000    
 C   -3.514100      -1.114300     -0.8180000    
 C    4.388100      8.6400002E-02  0.2136000    
 C    2.831700      -1.651700     -0.4140000    
 C   -5.546500      -1.570100       1.038000    
 C   -4.201300      -2.328200     -0.8201000    
 C   -5.217400      -2.556000      0.1080000    
 C    5.307400     -0.8823000      0.6166000    
 C    3.751000      -2.620300     -1.0900000E-02
 C    4.759000       1.528200      0.3455000    
 C    1.513900      -2.095300     -0.9619000    
 C    4.988800      -2.235400      0.5044000    
 H   -1.120100      0.3252000      0.2337000    
 H   -1.603200      0.7617000      -1.421800    
 H   0.4183000       1.972600      -1.816400    
 H   0.9430000       3.258800     -0.6926000    
 H   -2.682600       3.661000     -0.7002000    
 H   -1.108400       4.332700      -1.178800    
 H   -1.825800       3.005600      -2.145600    
 H  -0.1353000       3.565600       1.327100    
 H   -1.901600       3.430900       1.363200    
 H  -0.9367000       2.034300       1.862500    
 H   -3.146900       1.570500       1.132600    
 H   -3.693100       1.839100     -0.5263000    
 H    2.416300       1.064800      -1.627500    
 H   -5.125900      0.4057000       1.767000    
 H   -2.746100     -0.9752000      -1.569800    
 H   -6.338400      -1.747300       1.759900    
 H   -3.948700      -3.094800      -1.546900    
 H   -5.753300      -3.500700      0.1055000    
 H    6.276100     -0.6005000       1.020800    
 H    3.519100      -3.679000     -9.0300001E-02
 H    4.106600       2.025400       1.070800    
 H    4.679700       2.036600     -0.6212000    
 H    5.790800       1.653800      0.6915000    
 H    1.343100      -1.663400      -1.953800    
 H    1.463700      -3.184100      -1.072400    
 H   0.7016000      -1.794400     -0.2922000    
 H    5.704400      -2.989700      0.8185000    


%chk=000018222-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018222

1 1
O 0.604703 0.197798 0.806678
N -0.989778 2.272379 -0.448097
N 2.425165 0.613273 -0.611049
C -1.978745 1.056571 -0.454452
C 0.352517 1.822374 -1.048151
C -1.533336 3.387378 -1.340022
C -0.792655 2.822818 0.967967
C -3.366681 1.314740 0.167101
C 1.135983 0.800300 -0.174529
C -4.175310 0.021262 0.046440
C 3.385681 -0.313018 -0.040272
C -3.959942 -1.041035 0.961309
C -5.121752 -0.145114 -0.995007
C 4.631098 0.230477 0.391842
C 3.097884 -1.705329 0.022383
C -4.683074 -2.247868 0.839514
C -5.846134 -1.352714 -1.117907
C -5.626843 -2.406908 -0.201913
C 5.595084 -0.656039 0.922895
C 4.091669 -2.552165 0.574695
C 4.917121 1.719267 0.296121
C 1.801857 -2.295347 -0.494850
C 5.325161 -2.038430 1.023856
H -1.453936 0.259101 0.093129
H -2.081776 0.766288 -1.515816
H 0.124116 1.375994 -2.032756
H 0.954600 2.735075 -1.211417
H -2.509149 3.713708 -0.955454
H -0.832116 4.236443 -1.326250
H -1.646208 3.007667 -2.367293
H 0.008963 3.578412 0.941295
H -1.729694 3.292572 1.298585
H -0.512973 1.993143 1.630394
H -3.266858 1.589140 1.232764
H -3.901753 2.130972 -0.350714
H 2.785946 1.244109 -1.335107
H -3.241093 -0.921767 1.782428
H -5.310556 0.673851 -1.700919
H -4.518263 -3.057708 1.557894
H -6.583936 -1.467398 -1.918938
H -6.192209 -3.340144 -0.293083
H 6.556533 -0.258645 1.265507
H 3.893706 -3.627798 0.636188
H 4.142817 2.320113 0.809633
H 4.973991 2.071939 -0.754400
H 5.886745 1.958820 0.761242
H 1.497397 -1.839873 -1.455988
H 1.905026 -3.381003 -0.654578
H 0.978796 -2.129034 0.224478
H 6.078912 -2.713448 1.441825


