%chk=000018546.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018546

0 1
 O   -1.506800       1.690200     -0.2316000    
 O    2.333600      0.3347000      0.1773000    
 O   0.9771000       2.109700     -0.2345000    
 N   4.4399999E-02 -1.2700000E-02  0.2162000    
 N   -3.486200      0.6101000     -5.8699999E-02
 C   0.3521000      -1.413000      0.5478000    
 C   0.5246000      -2.279300     -0.6942000    
 C   -1.311800      0.4060000      6.9899999E-02
 C   0.8216000      -3.734200     -0.3600000    
 C   -2.456800     -0.2638000      0.1804000    
 C    1.096700      0.9183000      4.2399999E-02
 C   -2.723300      -1.675000      0.4954000    
 C   -2.865400       1.743700     -0.2949000    
 C    3.467700       1.187600     -2.1500001E-02
 C    4.732700      0.3776000      0.1661000    
 H  -0.3829000      -1.816800       1.243300    
 H    1.286200      -1.443600       1.122100    
 H  -0.3622000      -2.228200      -1.334100    
 H    1.350200      -1.885500      -1.300000    
 H   3.9999999E-04  -4.177800      0.2119000    
 H   0.9514000      -4.315800      -1.277900    
 H    1.739100      -3.820300      0.2307000    
 H   -2.216100      -2.362800     -0.1815000    
 H   -2.468000      -1.908900       1.532800    
 H   -3.795200      -1.881300      0.3904000    
 H    3.439800       1.600200      -1.036100    
 H    3.440700       2.005600      0.7068000    
 H   -3.299300       2.703700     -0.5312000    
 H    5.620600      0.9990000      2.0600000E-02
 H    4.765900     -5.7500001E-02   1.170400    
 H    4.764300     -0.4566000     -0.5426000    


%chk=000018546-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018546

0 1
O -2.114447 -0.695998 -1.233658
O 2.096577 -0.104061 0.530323
O 0.486674 1.596739 0.694594
N -0.102697 -0.613628 0.090182
N -3.647095 0.348864 0.107041
C 0.363658 -1.989436 -0.267521
C 0.890428 -2.101996 -1.714338
C -1.465863 -0.310777 -0.018531
C 1.349498 -3.541384 -2.030686
C -2.398567 0.320881 0.791560
C 0.791545 0.402460 0.451433
C -2.224807 0.920487 2.153239
C -3.442975 -0.258370 -1.049343
C 3.130620 0.893590 0.939029
C 4.477665 0.183468 0.857744
H -0.497277 -2.667424 -0.125276
H 1.154601 -2.277244 0.445872
H 0.092944 -1.792373 -2.414304
H 1.735733 -1.400558 -1.841165
H 0.515869 -4.261560 -1.927364
H 1.729106 -3.615369 -3.065313
H 2.161012 -3.862909 -1.350733
H -1.775585 0.200741 2.862092
H -1.551355 1.795056 2.104198
H -3.205537 1.235155 2.543261
H 3.065911 1.762036 0.259602
H 2.895206 1.238174 1.962307
H -4.146657 -0.480092 -1.845568
H 5.282699 0.879869 1.155163
H 4.507872 -0.689277 1.532388
H 4.680344 -0.161762 -0.170526


