%chk=000012095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012095

0 1
 O   -5.064400       1.131900     -7.4999998E-03
 O   -4.509200      -1.067900      1.4300000E-02
 O    4.220300       1.370300      4.6000001E-03
 O    4.505700     -0.8064000      9.9999997E-05
 N   -1.812300     -0.5271000     -4.6999999E-03
 N    3.760100      0.2029000      1.6000000E-03
 C  -0.4139000     -0.3439000     -2.9000000E-03
 C   0.1206000      0.9444000      7.9999998E-04
 C   0.4345000      -1.451200     -5.1000002E-03
 C   -2.738500      0.5626000     -2.9000000E-03
 C    2.352200      1.8400000E-02  9.9999997E-05
 C    1.503600       1.125500      2.2000000E-03
 C    1.817600      -1.270100     -3.5000001E-03
 C   -4.176200      0.1109000      2.9000000E-03
 H   -2.158900      -1.480100     -8.8000000E-03
 H  -0.5036000       1.833000      2.2000000E-03
 H   2.9899999E-02  -2.460200     -7.8999996E-03
 H   -2.603000       1.176600     -0.9008000    
 H   -2.598100       1.179000      0.8927000    
 H    1.885000       2.143500      4.9000001E-03
 H    2.447900      -2.155700     -5.2999998E-03
 H   -5.991700      0.8119000     -4.4000000E-03


%chk=000012095-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000012095

0 1
O -5.137763 1.047551 0.000487
O -4.457736 -1.179306 -0.002276
O 4.316683 1.357895 0.003249
O 4.554041 -0.915144 0.001063
N -1.816805 -0.466596 -0.004080
N 3.824771 0.157591 0.001457
C -0.443717 -0.292441 -0.002731
C 0.150449 1.009770 -0.000919
C 0.412430 -1.441182 -0.003227
C -2.778497 0.622933 -0.002802
C 2.367888 0.004049 -0.000010
C 1.545089 1.154200 0.000450
C 1.802834 -1.296695 -0.001891
C -4.183372 0.040170 -0.002970
H -2.215272 -1.410172 -0.005038
H -0.477712 1.905523 -0.000655
H -0.032398 -2.442992 -0.004650
H -2.676602 1.280555 -0.891679
H -2.675896 1.278943 0.887179
H 2.014949 2.141420 0.001853
H 2.467475 -2.164503 -0.002223
H -6.053238 0.656731 0.002011


