%chk=000040155.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040155

1 1
 O    5.842000      7.3899999E-02  0.1825000    
 O    4.878100      -2.526600      2.6799999E-02
 O   -4.653700      -2.463500     -2.6799999E-02
 O   -6.202900     -0.1608000      9.3500003E-02
 N  -3.7300002E-02   1.532600      0.2283000    
 C    1.307200       1.726000      0.2471000    
 C  -0.5697000      0.2585000      0.1526000    
 C    2.221600      0.6773000      0.1934000    
 C    1.735200     -0.6309000      0.1157000    
 C   -2.005500      0.1095000      0.1353000    
 C   0.3510000     -0.8263000      9.6100003E-02
 C    1.845700       3.132000      0.3318000    
 C   -2.820100       1.260800      0.1961000    
 C  -0.8478000       2.615000      0.2855000    
 C   -2.224900       2.511400      0.2713000    
 C    3.608600      0.9016000      0.2154000    
 C    2.643800      -1.702900      6.0300000E-02
 C   -2.675100      -1.137600      5.9599999E-02
 C   -4.222100       1.154900      0.1811000    
 C    4.501700     -0.1684000      0.1601000    
 C    4.019200      -1.471000      8.2500003E-02
 C    2.057200       3.739000      -1.045900    
 C   -4.069500      -1.234900      4.5200001E-02
 C   -4.844000     -8.6999997E-02  0.1060000    
 C    6.487700      0.2619000      -1.075300    
 C    4.301000      -3.828600     -5.1500000E-02
 C   -3.783900      -3.592300     -8.6000003E-02
 C   -6.843600     -0.1237000      -1.180800    
 H  -1.2900000E-02  -1.849300      3.5500001E-02
 H    1.243900       3.790900      0.9639000    
 H    2.782400       3.177500      0.8960000    
 H  -0.4596000       3.623800      0.2875000    
 H   -2.823300       3.418600      0.3071000    
 H    4.058800       1.887700      0.2460000    
 H    2.214900      -2.698800      3.9999999E-04
 H   -2.056200      -2.024400      1.2900000E-02
 H   -4.839100       2.051200      0.2295000    
 H    2.772900       3.159000      -1.638000    
 H    2.449900       4.756500     -0.9516000    
 H    1.122700       3.792000      -1.613900    
 H    6.072600       1.132600      -1.592900    
 H    6.383700     -0.6313000      -1.699400    
 H    7.551000      0.4383000     -0.8915000    
 H    3.726700      -3.961200     -0.9747000    
 H    3.715500      -4.065600      0.8434000    
 H    5.128200      -4.545200     -8.7499999E-02
 H   -4.418800      -4.483000     -0.1402000    
 H   -3.183100      -3.689300      0.8248000    
 H   -3.173100      -3.586000     -0.9954000    
 H   -6.628700      0.8212000      -1.690200    
 H   -7.923000     -0.1991000      -1.023800    
 H   -6.519900     -0.9666000      -1.799500    


%chk=000040155-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040155

1 1
O 5.879096 0.250011 0.040485
O 4.886928 -2.433006 -0.279509
O -4.724363 -2.304624 -0.314740
O -6.295006 0.134347 -0.148767
N -0.023393 1.786636 0.150124
C 1.364216 1.984040 0.247625
C -0.589533 0.480700 -0.019573
C 2.247948 0.881517 0.094849
C 1.699840 -0.449845 -0.103929
C -2.042143 0.330113 -0.058855
C 0.297305 -0.600457 -0.139526
C 1.891516 3.384631 0.488242
C -2.889106 1.484941 0.033114
C -0.897351 2.906407 0.211147
C -2.258275 2.772489 0.157138
C 3.673033 1.028177 0.109816
C 2.584093 -1.563419 -0.241612
C -2.669602 -0.942207 -0.184095
C -4.295859 1.347689 -0.012421
C 4.536565 -0.059404 -0.038579
C 3.970874 -1.399271 -0.198746
C 2.065345 4.214108 -0.817554
C -4.069041 -1.079323 -0.219226
C -4.916819 0.093534 -0.141301
C 6.965757 -0.615433 -0.482675
C 4.385699 -3.814444 -0.405988
C -3.921124 -3.533766 -0.382858
C -7.169444 -1.019107 -0.470766
H -0.116075 -1.600820 -0.276119
H 1.255374 3.929102 1.208644
H 2.869033 3.302651 0.987904
H -0.429435 3.882300 0.285084
H -2.869956 3.677713 0.205907
H 4.151610 2.002707 0.222894
H 2.151127 -2.559843 -0.367826
H -2.066341 -1.849629 -0.242073
H -4.943158 2.227384 0.051868
H 2.774420 3.719750 -1.503767
H 2.464230 5.214276 -0.576921
H 1.113356 4.348677 -1.361111
H 6.751076 -0.934436 -1.516033
H 7.108741 -1.493560 0.163627
H 7.849837 0.037814 -0.457505
H 3.812410 -3.937744 -1.342983
H 3.764760 -4.083471 0.467935
H 5.288045 -4.439952 -0.432955
H -4.656321 -4.347522 -0.449666
H -3.309733 -3.656986 0.530885
H -3.277698 -3.536958 -1.282942
H -6.914923 -1.441522 -1.455936
H -8.177167 -0.579532 -0.487236
H -7.094970 -1.796034 0.304807


