%chk=000108571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108571

0 1
 O    3.109600       1.549000     -0.8736000    
 O   -4.406200      0.2054000     -0.9195000    
 N    3.108000     -0.9333000      0.5144000    
 C    1.853700     -0.2627000      0.1483000    
 C   0.7754000     -0.6030000       1.171500    
 C    2.080900       1.249200      7.2800003E-02
 C  -0.6066000     -0.4010000      0.6116000    
 C    4.168200     -0.5856000     -0.4329000    
 C    4.339800      0.9265000     -0.5009000    
 C   -1.264300      -1.438300     -3.7400000E-02
 C   -1.208900      0.8428000      0.7564000    
 C   -2.489400       1.052200      0.2442000    
 C   -2.544600      -1.228900     -0.5498000    
 C   -3.157300      1.6300000E-02 -0.4087000    
 C  -0.6293000      -2.780500     -0.1988000    
 C   -3.129000       2.391900      0.4024000    
 H    1.565300     -0.6252000     -0.8477000    
 H   0.8995000      6.0000003E-04   2.081700    
 H   0.8790000      -1.636000       1.526400    
 H    1.184600       1.765400     -0.2807000    
 H    2.349500       1.678900       1.046100    
 H    2.971400      -1.943800      0.5143000    
 H    3.916000     -0.9817000      -1.424000    
 H    5.106900      -1.051600     -0.1166000    
 H    4.682700       1.338700      0.4560000    
 H    5.086400       1.184000      -1.259000    
 H  -0.6917000       1.646500       1.274200    
 H   -3.067900      -2.034800      -1.059000    
 H   -1.230700      -3.433800     -0.8411000    
 H   0.3550000      -2.702800     -0.6702000    
 H  -0.5352000      -3.280600      0.7705000    
 H   -2.481900       3.094400      0.9386000    
 H   -3.346100       2.827600     -0.5785000    
 H   -4.060800       2.303800      0.9706000    
 H   -4.708100     -0.6200000      -1.335900    


%chk=000108571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108571

0 1
O 3.145689 1.356044 -1.184046
O -4.503929 0.374032 -0.874270
N 3.228275 -0.785801 0.710286
C 1.924862 -0.378794 0.125263
C 0.796845 -0.634615 1.161126
C 2.027740 1.113147 -0.255295
C -0.609219 -0.423070 0.616168
C 4.366399 -0.567028 -0.212784
C 4.416905 0.926811 -0.575750
C -1.287955 -1.438733 -0.120823
C -1.269061 0.813985 0.835607
C -2.563063 1.102566 0.348250
C -2.586324 -1.167339 -0.616602
C -3.210504 0.079324 -0.390725
C -0.665995 -2.804402 -0.367254
C -3.251278 2.428472 0.593116
H 1.699128 -0.943683 -0.814077
H 0.979963 0.026796 2.028927
H 0.909345 -1.674781 1.530766
H 1.126157 1.452891 -0.788202
H 2.172482 1.712682 0.671257
H 3.198873 -1.743065 1.086703
H 4.276867 -1.155372 -1.158784
H 5.307563 -0.859493 0.289784
H 4.614582 1.523576 0.340812
H 5.191105 1.133296 -1.333315
H -0.752191 1.588303 1.417131
H -3.116102 -1.945497 -1.184114
H -1.343360 -3.450053 -0.951923
H 0.287006 -2.729942 -0.923507
H -0.445015 -3.327867 0.583086
H -2.610972 3.104458 1.185132
H -3.503603 2.928872 -0.359941
H -4.206820 2.288433 1.131432
H -4.870495 -0.394554 -1.377734


