%chk=000041681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041681

1 1
 O  -0.4433000       2.909500      7.7200003E-02
 O   -3.066300       3.325700      5.3700000E-02
 O   0.5595000      -3.438300     -9.2200004E-02
 O    4.033600       1.789600      0.1088000    
 O    4.807500     -0.8723000      4.0800001E-02
 N   -2.144900      -2.915600     -0.1138000    
 C   -1.661700     -0.5813000     -3.9799999E-02
 C  -0.7192000      0.4750000      3.7000000E-03
 C   -1.257400      -1.913800     -7.2600000E-02
 C   0.7336000      0.1539000      1.4600000E-02
 C   -3.053400     -0.3262000     -5.1600002E-02
 C    1.163600      -1.191700     -1.8300001E-02
 C   0.1608000      -2.282400     -6.3900001E-02
 C   -1.220400       1.788700      3.4400001E-02
 C   -3.505000      0.9969000     -1.9700000E-02
 C   -3.953700      -1.399000     -9.4800003E-02
 C   -2.593300       2.046200      2.2900000E-02
 C    1.739500       1.137500      5.7200000E-02
 C   -3.464300      -2.696500     -0.1255000    
 C    2.523400      -1.533800     -8.9999996E-03
 C    3.097600      0.7990000      6.6500001E-02
 C    3.488600     -0.5340000      3.3500001E-02
 C   -1.774700      -4.334600     -0.1512000    
 C  -5.8100000E-02   3.476400      -1.172500    
 C   -3.307800       3.894300       1.338100    
 C    4.496000       2.296300      -1.140900    
 C    5.419600      -1.069600       1.314100    
 H   -4.571100       1.214900     -2.9100001E-02
 H   -5.027500      -1.232600     -0.1048000    
 H    1.558100       2.193700      0.1572000    
 H   -4.138700      -3.544700     -0.1593000    
 H    2.843700      -2.572300     -3.5700001E-02
 H   -1.212100      -4.531800      -1.067700    
 H   -1.237300      -4.586700      0.7670000    
 H   -2.663300      -4.973600     -0.1824000    
 H   0.7766000       4.162200      -1.001100    
 H  -0.8910000       4.050000      -1.591000    
 H   0.2521000       2.711800      -1.892500    
 H   -2.387500       3.920000       1.930200    
 H   -4.079700       3.328000       1.868900    
 H   -3.661100       4.919500       1.198000    
 H    5.240200       3.072300     -0.9419000    
 H    3.669000       2.740800      -1.703800    
 H    4.967100       1.502400      -1.728900    
 H    6.470100      -1.326700       1.153000    
 H    4.935400      -1.893100       1.848500    
 H    5.371100     -0.1536000       1.911300    


%chk=000041681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041681

1 1
O -0.497813 2.835776 -0.187725
O -3.284264 3.246111 0.245213
O 0.577141 -3.569530 -0.404910
O 3.914710 1.884581 0.186561
O 4.810184 -0.951283 0.065602
N -2.224356 -3.082194 -0.175057
C -1.738792 -0.687783 -0.046983
C -0.789693 0.414741 -0.036631
C -1.298615 -2.048205 -0.147245
C 0.661694 0.124477 -0.040237
C -3.169077 -0.419723 -0.003982
C 1.101355 -1.238514 -0.149475
C 0.171536 -2.368818 -0.248805
C -1.333791 1.730325 -0.051231
C -3.656696 0.905915 0.105306
C -4.067553 -1.524291 -0.029087
C -2.757164 1.969306 0.125419
C 1.664417 1.121095 0.080331
C -3.585562 -2.817482 -0.109651
C 2.485041 -1.554920 -0.122400
C 3.042286 0.806438 0.072724
C 3.463997 -0.564089 0.015435
C -1.852358 -4.536994 -0.270913
C -0.747780 3.734856 -1.359107
C -2.756799 4.147042 1.314475
C 5.060829 1.968379 -0.763837
C 5.510609 -0.658434 1.347572
H -4.726021 1.110557 0.205507
H -5.147034 -1.360803 0.013641
H 1.396420 2.172234 0.162259
H -4.246053 -3.684203 -0.132162
H 2.791275 -2.603373 -0.179170
H -1.321485 -4.735826 -1.211961
H -1.183255 -4.816742 0.554082
H -2.783931 -5.120215 -0.223142
H -0.049811 4.572282 -1.222351
H -1.790753 4.090585 -1.368518
H -0.513756 3.185801 -2.286900
H -1.662620 4.255849 1.248391
H -3.046503 3.737057 2.297242
H -3.261757 5.106755 1.140265
H 5.710568 2.754909 -0.355635
H 4.675752 2.268649 -1.754230
H 5.596452 1.008756 -0.841683
H 6.555832 -0.951896 1.176805
H 5.071758 -1.270426 2.155549
H 5.445337 0.413667 1.606246


