%chk=000031426.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031426

0 1
 O   2.7400000E-02   2.225200     -1.9999999E-04
 O   -1.630800      -2.854500     -7.9999998E-04
 O    2.770300       2.093200      -1.098500    
 O    2.768700       2.096200       1.096700    
 N    2.548600       1.535900     -3.9999999E-04
 C   0.6504000     -6.5800004E-02  1.9999999E-04
 C   0.2051000      -1.389400     -3.0000001E-04
 C   -1.762800      0.7460000       0.000000    
 C   -2.208100     -0.5775000     -9.9999997E-05
 C    2.023100      0.2090000      1.1000000E-03
 C  -0.3173000       1.050200      9.9999997E-05
 C   -1.240500      -1.693600     -9.9999997E-05
 C    2.944000     -0.8390000      1.5000000E-03
 C    1.132600      -2.438100     -3.9999999E-04
 C    2.499700      -2.159700      5.0000002E-04
 C   -2.690300       1.794800     -9.9999997E-05
 C   -3.580900     -0.8525000       0.000000    
 C    4.419900     -0.5921000      1.9999999E-04
 C   -4.057400       1.516400      1.9999999E-04
 C   -4.501800      0.1956000      3.9999999E-04
 H   0.8115000      -3.476400     -8.9999998E-04
 H    3.203900      -2.987800      1.9999999E-04
 H   -2.372700       2.834000     -9.9999997E-05
 H   -3.952700      -1.873600      9.9999997E-05
 H    4.719500     -4.0399998E-02 -0.8969000    
 H    4.720000     -3.2200001E-02  0.8921000    
 H    4.989000      -1.528500      4.6000001E-03
 H   -4.776500       2.330400      3.0000001E-04
 H   -5.566700     -1.8300001E-02  6.9999998E-04


%chk=000031426-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031426

0 1
O 0.062040 2.297111 -0.000453
O -1.668748 -2.938426 -0.000072
O 2.885151 2.083658 -1.143835
O 2.883085 2.084483 1.144106
N 2.600525 1.568199 0.000058
C 0.639667 -0.044016 -0.000065
C 0.183850 -1.395583 -0.000029
C -1.792181 0.756770 -0.000104
C -2.245758 -0.594399 -0.000045
C 2.037780 0.184887 0.000048
C -0.337772 1.091846 -0.000265
C -1.277285 -1.728689 -0.000134
C 2.996315 -0.861475 0.000205
C 1.118179 -2.456524 0.000148
C 2.498677 -2.189610 0.000282
C -2.735635 1.813724 -0.000020
C -3.635076 -0.869977 0.000090
C 4.482740 -0.576207 -0.000161
C -4.116435 1.531337 0.000138
C -4.567406 0.186797 0.000191
H 0.732494 -3.480382 0.000197
H 3.216524 -3.016724 0.000438
H -2.361174 2.842202 -0.000067
H -3.954347 -1.916957 0.000119
H 4.776039 0.009332 -0.891057
H 4.775188 0.017621 0.885458
H 5.061360 -1.513237 0.004397
H -4.841814 2.351602 0.000222
H -5.640784 -0.029864 0.000310


