%chk=000045317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045317

0 1
 O   0.1479000     -0.8315000     -1.3800000E-02
 O  -0.8036000      -2.844100     -0.6001000    
 O   -5.812400      0.8621000      0.8047000    
 N    4.865500      0.2635000      0.1411000    
 C    6.148700     -0.2585000      0.6492000    
 C    7.061400      0.9153000       1.052900    
 C    5.018200       1.184800     -0.9905000    
 C    7.257400       1.919500     -7.9000004E-02
 C    5.909000       2.372300     -0.6248000    
 C    3.899300     -0.7878000     -0.1646000    
 C    6.881500      -1.226100     -0.2934000    
 C    2.477500     -0.2781000      4.7600001E-02
 C    1.446700      -1.360600     -0.2427000    
 C  -0.8925000      -1.683300     -0.2311000    
 C   -2.188600      -1.012200      4.0800001E-02
 C   -3.384100      -1.712100     -0.1229000    
 C   -2.211100      0.3178000      0.4606000    
 C   -4.601900      -1.082200      0.1330000    
 C   -3.428900      0.9479000      0.7166000    
 C   -4.624300      0.2480000      0.5529000    
 C   -6.943300      0.4210000      5.4900002E-02
 C   -7.911100       1.551100     -6.3299999E-02
 C   -8.311300       2.073500      -1.227900    
 H    5.940300     -0.8129000       1.574400    
 H    8.036800      0.5432000       1.388300    
 H    6.615700       1.434500       1.912100    
 H    4.048800       1.592900      -1.296400    
 H    5.431600      0.6711000      -1.867300    
 H    7.821300       2.785600      0.2850000    
 H    7.851000       1.469900     -0.8833000    
 H    6.061200       3.006500      -1.505600    
 H    5.402100       2.989700      0.1278000    
 H    4.038500      -1.636800      0.5177000    
 H    4.030500      -1.179300      -1.181400    
 H    7.132100     -0.7666000      -1.254000    
 H    7.817200      -1.566600      0.1637000    
 H    6.279500      -2.117900     -0.4954000    
 H    2.256800      0.5857000     -0.5901000    
 H    2.348100      7.4100003E-02   1.079500    
 H    1.529200      -1.686700      -1.286300    
 H    1.610000      -2.221600      0.4163000    
 H   -3.387300      -2.750700     -0.4431000    
 H   -1.304900      0.9001000      0.6012000    
 H   -5.507100      -1.671300      2.0500001E-02
 H   -3.440800       1.984000       1.043600    
 H   -7.425700     -0.4066000      0.5875000    
 H   -6.656600      8.3400004E-02 -0.9497000    
 H   -8.311900       1.964600      0.8584000    
 H   -9.019800       2.894400      -1.246400    
 H   -7.943900       1.697500      -2.176300    


%chk=000045317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045317

0 1
O 0.203694 -0.677019 -0.145195
O -0.764649 -2.743315 -0.628142
O -5.889818 1.203884 0.145664
N 5.056538 0.221300 0.154426
C 6.312780 -0.307070 0.773366
C 7.211983 0.886298 1.187217
C 5.292137 1.105546 -1.014136
C 7.499396 1.841439 0.005933
C 6.170425 2.312645 -0.625394
C 4.020590 -0.809816 -0.081253
C 7.081219 -1.344494 -0.099682
C 2.586188 -0.235852 0.004416
C 1.541680 -1.323325 -0.250069
C -0.895350 -1.520418 -0.359068
C -2.188051 -0.801397 -0.227689
C -3.386034 -1.533819 -0.419228
C -2.264441 0.585759 0.081285
C -4.643072 -0.910040 -0.305759
C -3.510598 1.218938 0.197278
C -4.705101 0.474353 0.006036
C -7.173206 0.473620 0.002717
C -8.277805 1.452851 0.294037
C -9.350447 1.642988 -0.511663
H 5.999186 -0.826522 1.702148
H 8.156760 0.500604 1.617024
H 6.688174 1.450941 1.982912
H 4.313799 1.465492 -1.381459
H 5.772015 0.556539 -1.865922
H 8.089509 2.709326 0.356962
H 8.115236 1.329562 -0.761099
H 6.360078 2.934947 -1.521430
H 5.615867 2.932702 0.105367
H 4.136041 -1.589790 0.697661
H 4.151866 -1.325218 -1.067719
H 7.452334 -0.903938 -1.041959
H 7.953454 -1.735210 0.456456
H 6.435583 -2.203827 -0.358281
H 2.447952 0.574441 -0.735124
H 2.437194 0.206711 1.005397
H 1.637663 -1.773091 -1.256427
H 1.595735 -2.140537 0.493903
H -3.311885 -2.599849 -0.658889
H -1.340070 1.150598 0.228382
H -5.551355 -1.498227 -0.463038
H -3.591248 2.283735 0.434918
H -7.184870 -0.362983 0.733988
H -7.261756 0.057149 -1.020234
H -8.180804 2.006183 1.237480
H -10.152850 2.337165 -0.240483
H -9.458965 1.110535 -1.464731


