%chk=000059174.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059174

0 1
 O  -0.7135000      0.2427000      1.3300000E-02
 O    7.891000     -0.2416000     -3.0400001E-02
 O   -1.820300       2.261000     -1.4900000E-02
 N   -4.063000      -1.945400      8.2999999E-03
 C    3.033000      0.5250000      2.5800001E-02
 C    4.144600     -0.5252000      2.7999999E-03
 C    1.652200     -0.1272000      3.6499999E-02
 C    5.525500      0.1264000      2.5900001E-02
 C   0.5399000      0.9118000      1.7600000E-02
 C    6.637700     -0.9107000     -3.9900001E-02
 C   -1.817800       1.039900     -3.4000000E-03
 C   -3.057500      0.2229000     -4.6999999E-03
 C   -4.284800      0.8408000     -1.9300001E-02
 C   -2.974300      -1.143800      8.7000001E-03
 C   -5.428100      4.9600001E-02 -2.0099999E-02
 C   -5.264600      -1.326300     -6.0999999E-03
 H    3.144300       1.160700      0.9126000    
 H    3.126600       1.175700     -0.8523000    
 H    4.044200      -1.144200     -0.8971000    
 H    4.040300      -1.192100      0.8672000    
 H    1.539700     -0.7656000      0.9218000    
 H    1.539900     -0.7925000     -0.8288000    
 H    5.630700      0.8232000     -0.8152000    
 H    5.641900      0.7323000      0.9332000    
 H   0.6096000       1.551800      0.9050000    
 H   0.6233000       1.534500     -0.8811000    
 H    6.599800      -1.596300      0.8126000    
 H    6.573100      -1.498400     -0.9607000    
 H    7.953000      0.2542000      0.8038000    
 H   -4.386600       1.921600     -3.0099999E-02
 H   -2.039300      -1.692600      2.0400001E-02
 H   -6.416100      0.4955000     -3.1399999E-02
 H   -6.124800      -1.987600     -6.0000001E-03


%chk=000059174-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059174

0 1
O -0.737375 0.190248 0.006512
O 8.094718 -0.269339 -0.035470
O -1.842579 2.243999 -0.004394
N -4.269795 -1.993875 0.008716
C 3.074936 0.528535 0.024945
C 4.220920 -0.507379 0.004620
C 1.674620 -0.128310 0.009421
C 5.621780 0.145844 0.028216
C 0.565611 0.922407 0.009430
C 6.759511 -0.890280 -0.005213
C -1.881302 0.987457 0.000594
C -3.132482 0.176160 -0.001482
C -4.380208 0.850685 -0.013764
C -3.130270 -1.244168 0.009306
C -5.564714 0.088142 -0.014859
C -5.462123 -1.323467 -0.003282
H 3.175672 1.167407 0.926917
H 3.179439 1.204136 -0.849144
H 4.126087 -1.140283 -0.901884
H 4.113052 -1.190265 0.873154
H 1.555965 -0.783867 0.893264
H 1.569189 -0.769650 -0.886403
H 5.737908 0.825873 -0.838092
H 5.720104 0.771117 0.941478
H 0.597599 1.569968 0.905452
H 0.600682 1.572689 -0.884390
H 6.668946 -1.589741 0.855080
H 6.717963 -1.482604 -0.935232
H 8.208231 0.279357 0.781630
H -4.390974 1.945442 -0.022039
H -2.183800 -1.792394 0.018873
H -6.547745 0.568235 -0.024393
H -6.359967 -1.951979 -0.003564


