%chk=000031969.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031969

0 1
 O    2.263000      -1.621100     -4.9000001E-03
 O    4.521200     -0.2457000      1.4100000E-02
 N  -0.8335000       1.739000     -1.9999999E-04
 C  -0.4916000     -0.4656000     -1.3000000E-03
 C   -1.478400      0.5227000      6.0000003E-04
 C   0.7660000      0.2001000     -2.0999999E-03
 C   0.5230000       1.554300     -2.0000001E-03
 C  -0.8864000      -1.818200     -1.5000000E-03
 C   -2.845700      0.2247000      2.9000000E-03
 C   -1.479500       3.034000      7.9999998E-04
 C    2.077700     -0.3833000     -4.1000000E-03
 C   -2.250700      -2.131200      1.0000000E-03
 C   -3.213400      -1.123800      3.1000001E-03
 C    3.328300      0.5142000     -6.3999998E-03
 H    1.195400       2.402300     -3.1000001E-03
 H  -0.1554000      -2.621100     -3.0000000E-03
 H   -3.600300       1.004100      4.4000000E-03
 H  -0.7229000       3.822700     -5.0000002E-04
 H   -2.096700       3.112000     -0.8979000    
 H   -2.093700       3.112100      0.9015000    
 H   -2.561200      -3.172700      1.2000001E-03
 H   -4.267500      -1.389600      4.9000001E-03
 H    3.316200       1.167200      0.8714000    
 H    3.329100       1.120200     -0.9169000    
 H    4.545200     -0.7260000      0.8593000    


%chk=000031969-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031969

0 1
O 2.339492 -1.625651 0.113461
O 4.597220 -0.253262 0.154846
N -0.854625 1.798626 -0.005017
C -0.463978 -0.467498 0.035239
C -1.489306 0.535587 -0.003240
C 0.816225 0.232988 0.056586
C 0.518002 1.611032 0.031003
C -0.831756 -1.835951 0.045423
C -2.864122 0.219866 -0.031590
C -1.555580 3.085485 -0.042897
C 2.142750 -0.362419 0.096863
C -2.203629 -2.160452 0.017215
C -3.206664 -1.148381 -0.020706
C 3.392967 0.544911 0.119320
H 1.193246 2.465797 0.035677
H -0.057123 -2.606505 0.074116
H -3.638263 0.993893 -0.061038
H -0.820666 3.905486 -0.036211
H -2.168275 3.168739 -0.958551
H -2.214959 3.196230 0.836694
H -2.509788 -3.212281 0.024369
H -4.262931 -1.438431 -0.041889
H 3.349375 1.203166 1.012084
H 3.392171 1.188123 -0.785721
H 4.288418 -1.207798 0.155264


