%chk=000030285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030285

0 1
 O    2.359400      0.2458000      0.2664000    
 O   -1.835600      -1.738300     -0.8135000    
 O   -3.686400       1.779500     -0.5431000    
 N    5.178300      2.4999999E-03  0.3497000    
 C    4.423100     -0.1508000     -0.8848000    
 C    3.025000     -0.6744000     -0.5972000    
 C   -4.074200     -0.5404000     -1.6000001E-02
 C   -1.725500      0.5537000     -0.1174000    
 C   -5.458800     -0.1754000      0.5194000    
 C   -3.206300      0.6871000     -0.2496000    
 C    1.008100      0.3476000      0.1398000    
 C   -1.123400     -0.6502000     -0.4058000    
 C   -1.014700       1.659300      0.2949000    
 C   0.2614000     -0.7548000     -0.2757000    
 C   0.3701000       1.554700      0.4252000    
 C    6.511000      0.5466000      7.7699997E-02
 C    5.289100      -1.278200       1.052100    
 C   -6.300700      -1.414100      0.7779000    
 H    4.930200     -0.8217000      -1.589900    
 H    4.330200      0.8303000      -1.367700    
 H    3.020600      -1.679500     -0.1631000    
 H    2.517100     -0.7315000      -1.570100    
 H   -3.601000      -1.191500      0.7270000    
 H   -4.185600      -1.073700     -0.9662000    
 H   -5.979900      0.4703000     -0.1975000    
 H   -5.359400      0.3997000       1.447700    
 H   -1.497200       2.604000      0.5264000    
 H   0.7287000      -1.714600     -0.4776000    
 H   0.9467000       2.416400      0.7505000    
 H    7.056200      0.7168000       1.012800    
 H    6.435000       1.519500     -0.4206000    
 H    7.108200     -0.1202000     -0.5550000    
 H    5.666300      -2.078900      0.4054000    
 H    4.336600      -1.587800       1.492600    
 H    5.975900      -1.187200       1.902700    
 H   -6.442900      -1.990700     -0.1417000    
 H   -7.287500      -1.129400       1.156300    
 H   -5.826600      -2.063100       1.521100    
 H   -1.226700      -2.481300     -0.9644000    


%chk=000030285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030285

0 1
O 2.419882 0.513508 -0.553902
O -1.860603 -1.897796 -0.318571
O -3.703801 1.849493 0.617405
N 5.284237 -0.191132 0.347510
C 4.636173 -0.373610 -0.966202
C 3.150582 -0.731552 -0.860272
C -4.216766 -0.502378 0.290244
C -1.789882 0.510216 0.092069
C -5.682115 -0.129563 0.581759
C -3.261392 0.687999 0.348772
C 1.043999 0.440961 -0.352203
C -1.118295 -0.705277 -0.222876
C -0.977947 1.683418 0.173515
C 0.281634 -0.746985 -0.444925
C 0.402186 1.669972 -0.038717
C 6.391198 0.783244 0.330038
C 5.655378 -1.460480 0.997570
C -6.612877 -1.358856 0.509529
H 5.142455 -1.164236 -1.579813
H 4.709937 0.570415 -1.535543
H 2.972822 -1.474176 -0.057038
H 2.780943 -1.141134 -1.824092
H -3.857169 -1.277951 0.996509
H -4.120605 -0.983692 -0.704024
H -6.012794 0.644342 -0.135925
H -5.748498 0.343230 1.579482
H -1.499820 2.614519 0.417483
H 0.757416 -1.703925 -0.689378
H 1.007773 2.577246 0.032277
H 6.747936 0.952685 1.361970
H 6.030282 1.748610 -0.065442
H 7.269685 0.458273 -0.284403
H 6.455711 -2.021810 0.448465
H 4.775340 -2.123110 1.081975
H 6.018411 -1.261196 2.021263
H -6.581738 -1.826389 -0.493295
H -7.661857 -1.078769 0.717922
H -6.317198 -2.129517 1.247083
H -1.265818 -2.658498 -0.537518


