%chk=000049393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049393

0 1
 O   -2.145700       1.241900     -0.2826000    
 O  -0.7227000      0.4543000       1.392900    
 O   -4.907300      -1.678600      0.5767000    
 O   -2.162900      -2.008700       1.411100    
 O   -5.034300     -0.2069000      -1.975300    
 O    4.931900      -2.200400     -0.8231000    
 O    3.088300      -3.012600      5.9300002E-02
 N   0.3128000       1.247100      0.8669000    
 N    3.786000      -2.049500     -0.3377000    
 C   -3.788200      -1.112300     -0.1063000    
 C   -2.715200     -0.7831000      0.9312000    
 C   -4.230200      0.1445000     -0.8550000    
 C   -1.600400      7.6600000E-02  0.3332000    
 C   -3.021800      0.9218000      -1.357600    
 C    1.498800      0.7608000      0.3945000    
 C    2.238100       1.865800     -3.3100002E-02
 C   0.2546000       2.600600      0.7640000    
 C    1.440400       3.019600      0.2062000    
 C    1.981300     -0.5500000      0.3079000    
 C    3.521800       1.654800     -0.5740000    
 C    3.257300     -0.7349000     -0.2322000    
 C    4.017400      0.3491000     -0.6670000    
 H   -3.435300      -1.874900     -0.8116000    
 H   -3.170000     -0.2786000       1.793100    
 H   -4.834300      0.7773000     -0.1935000    
 H   -1.032800     -0.5080000     -0.4043000    
 H   -2.477600      0.3681000      -2.133200    
 H   -3.348200       1.858800      -1.822400    
 H   -4.590200      -2.465100       1.052800    
 H   -1.461800      -1.782200       2.046100    
 H   -5.783100     -0.7308000      -1.642700    
 H  -0.6102000       3.158800       1.096100    
 H    1.705000       4.046700     -5.1000002E-03
 H    1.366900      -1.374500      0.6557000    
 H    4.124600       2.491000     -0.9167000    
 H    5.011600      0.2210000      -1.089200    


%chk=000049393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049393

0 1
O -2.499627 1.442278 -0.209916
O -0.741132 0.608812 1.117055
O -4.759370 -2.046929 0.434266
O -1.913519 -2.094325 0.957815
O -5.546820 -0.167385 -1.620012
O 5.134416 -2.360115 -0.304568
O 3.094052 -3.097640 0.402788
N 0.350404 1.336993 0.554659
N 3.902112 -2.155448 0.030898
C -3.787336 -1.152507 -0.193477
C -2.622244 -0.827793 0.755433
C -4.556697 0.118692 -0.586316
C -1.732421 0.241176 0.094664
C -3.584823 1.154416 -1.179349
C 1.602089 0.773500 0.285162
C 2.456145 1.879155 -0.092821
C 0.380702 2.725037 0.400319
C 1.666448 3.086171 -0.012725
C 2.039262 -0.557691 0.339283
C 3.806328 1.600096 -0.443484
C 3.388386 -0.772021 -0.011613
C 4.271545 0.278129 -0.402632
H -3.368967 -1.623079 -1.111017
H -3.009244 -0.416492 1.710751
H -5.038215 0.528831 0.326510
H -1.217087 -0.144404 -0.812010
H -3.167699 0.778109 -2.135970
H -4.085364 2.117252 -1.353490
H -4.286726 -2.874053 0.708612
H -1.269235 -1.998832 1.703469
H -6.106187 -0.920521 -1.296755
H -0.515224 3.313681 0.578790
H 1.995662 4.098869 -0.236382
H 1.404376 -1.397784 0.628817
H 4.478932 2.411156 -0.740203
H 5.301677 0.022162 -0.661452


