%chk=000061065.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061065

1 1
 O    1.757800      -1.125300      -1.207800    
 O    2.007200      -3.161200      0.4340000    
 O    4.005800      0.6219000     -0.6543000    
 N   -3.396800      0.6629000     -0.2715000    
 C  -0.5735000     -0.6898000     -0.6665000    
 C   -1.531600     -0.8266000      0.5026000    
 C   -2.111000      0.6288000      0.4759000    
 C   -1.491000     -0.3602000      -1.927700    
 C   0.4845000      -1.787100     -0.8874000    
 C   0.4009000      0.4144000     -0.2091000    
 C   -3.071100     -0.1680000      -1.630200    
 C   -1.306600       1.657900       1.264500    
 C   0.1306000       1.491200      0.6858000    
 C  -0.8627000      -1.346200       1.746200    
 C   0.6486000      -2.743400      0.3287000    
 C    1.679600      9.6500002E-02 -0.5967000    
 C   -4.539700     -2.6200000E-02  0.4816000    
 C   -3.838800       2.083300     -0.5779000    
 C   0.1522000      -2.220800       1.654100    
 C    1.194600       2.316600       1.037600    
 C    2.739200      0.9146000     -0.2640000    
 C    2.485300       2.037200      0.5436000    
 C    5.036600       1.529600     -0.2614000    
 H   -2.292100      -1.582600      0.2783000    
 H   -1.702100       1.134900     -0.4013000    
 H   -1.417800      -1.172800      -2.660400    
 H   -1.121700      0.5423000      -2.432300    
 H   0.2450000      -2.401500      -1.763500    
 H   -3.559700      0.3650000      -2.452000    
 H   -3.542500      -1.150200      -1.514900    
 H   -1.308200       1.441400       2.336600    
 H   -1.652100       2.684700       1.103700    
 H   -1.242800      -1.052300       2.718800    
 H   6.4900003E-02  -3.650200      0.1259000    
 H   -5.432200      1.0400000E-02 -0.1497000    
 H   -4.275300      -1.063500      0.6934000    
 H   -4.701900      0.5196000       1.415700    
 H   -3.996000       2.610200      0.3676000    
 H   -3.068200       2.578400      -1.176500    
 H   -4.771800       2.036900      -1.147600    
 H   0.5862000      -2.624900       2.564100    
 H    1.042900       3.162400       1.701700    
 H    3.264200       2.724500      0.8606000    
 H    2.548100      -2.371100      0.6043000    
 H    5.156600       1.551600      0.8269000    
 H    4.874000       2.528200     -0.6808000    
 H    5.975600       1.153700     -0.6806000    


%chk=000061065-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061065

1 1
O 1.801106 -1.055038 -1.201060
O 1.961972 -3.300009 0.291417
O 4.043212 0.589027 -0.563843
N -3.474470 0.620061 -0.266370
C -0.567476 -0.635381 -0.728419
C -1.506175 -0.745179 0.496847
C -2.062495 0.724558 0.342748
C -1.580922 -0.357857 -1.943894
C 0.474460 -1.757990 -0.970474
C 0.366980 0.532065 -0.245563
C -3.118529 -0.282278 -1.560846
C -1.372413 1.725210 1.280749
C 0.078157 1.568587 0.706344
C -0.753446 -1.175137 1.739435
C 0.628201 -2.716505 0.263871
C 1.684812 0.203725 -0.566617
C -4.540177 -0.029595 0.599101
C -3.963984 1.989646 -0.716549
C 0.247683 -2.084353 1.601957
C 1.164911 2.360470 1.132477
C 2.783451 1.001754 -0.156518
C 2.486330 2.109678 0.681271
C 5.202195 1.384838 -0.123296
H -2.304847 -1.491031 0.320899
H -1.621925 1.129474 -0.578327
H -1.527111 -1.199492 -2.662413
H -1.278895 0.541236 -2.511216
H 0.315122 -2.347527 -1.885985
H -3.696639 0.147663 -2.396361
H -3.521439 -1.283073 -1.341794
H -1.413271 1.472858 2.353773
H -1.731065 2.763261 1.151787
H -1.040516 -0.790456 2.724945
H -0.052169 -3.575998 0.089181
H -5.442797 -0.208115 -0.006273
H -4.166579 -0.982170 0.999793
H -4.780658 0.648272 1.433103
H -4.111366 2.630452 0.166118
H -3.213716 2.443039 -1.382922
H -4.917315 1.873655 -1.255008
H 0.800935 -2.468882 2.466630
H 0.998583 3.176208 1.844644
H 3.295411 2.752847 1.038897
H 2.606363 -2.614648 -0.036598
H 5.284311 1.387903 0.979758
H 5.136744 2.420674 -0.505079
H 6.072659 0.878751 -0.562218


