%chk=000012872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012872

0 1
 O    2.154700      0.1676000     -1.5500000E-02
 O    5.499700       1.179100      1.7600000E-02
 O    3.623500       2.326400     -2.1400001E-02
 O   -5.309400       1.736400      2.2299999E-02
 N    4.234700       1.218100      3.9999999E-04
 N   -3.045700      0.1688000     -3.9999999E-04
 N   -4.294000     -0.3508000     -4.1000000E-03
 N   -6.582500     -0.1749000      2.3000001E-03
 C    1.652600      -1.084100     -7.8999996E-03
 C    2.636900      -2.027500      1.6600000E-02
 C    3.506100      2.7100001E-02  4.4999998E-03
 C    3.853200      -1.303800      2.4700001E-02
 C   0.2391000      -1.322100     -2.4000000E-02
 C  -0.6790000     -0.3461000     -1.0800000E-02
 C   -2.109500     -0.7227000     -1.2500000E-02
 C   -5.380300      0.5083000      8.0000004E-03
 H    2.516300      -3.101800      2.7500000E-02
 H    4.855200      -1.708700      4.3000001E-02
 H  -7.9800002E-02  -2.362000     -3.7900001E-02
 H  -0.4287000      0.7083000      6.8000001E-03
 H   -2.328400      -1.806700     -2.5200000E-02
 H   -4.403900      -1.359600     -1.5600000E-02
 H   -6.617600      -1.188700     -9.9999998E-03
 H   -7.468400      0.3193000      9.4999997E-03


%chk=000012872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012872

0 1
O 2.076943 0.123260 0.003662
O 5.460720 1.314790 0.011036
O 3.463520 2.464364 0.010322
O -5.155546 1.846377 0.000211
N 4.159420 1.373757 0.008972
N -3.045082 -0.010686 -0.002057
N -4.358535 -0.386485 -0.004504
N -6.658429 0.059935 -0.006286
C 1.682558 -1.235385 0.000651
C 2.834436 -2.046169 0.001028
C 3.477302 0.116888 0.005886
C 3.973382 -1.185176 0.004337
C 0.282430 -1.548780 -0.001851
C -0.734431 -0.614142 -0.000807
C -2.129845 -0.973782 -0.003228
C -5.380343 0.615132 -0.003295
H 2.839441 -3.134167 -0.000941
H 5.025464 -1.456766 0.005497
H 0.046750 -2.620503 -0.004651
H -0.501077 0.457041 0.002093
H -2.396094 -2.051299 -0.006147
H -4.623707 -1.384644 -0.007127
H -6.857617 -0.938384 -0.009404
H -7.436861 0.714724 -0.005498


