%chk=000060282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060282

0 1
 O    1.199400      0.2494000      8.3300002E-02
 O   -3.279100      -1.045500      0.8312000    
 O   0.3276000       2.265200     -0.5542000    
 O   -1.784800      -3.092300     -0.3610000    
 N    4.875900      9.5899999E-02 -0.1312000    
 N   -1.031300      0.4935000      0.1491000    
 C    3.512100     -0.3591000      0.1370000    
 C    5.191600       1.271100      0.6800000    
 C    5.833500     -0.9780000      0.1303000    
 C    2.508600      0.7397000     -0.1747000    
 C    6.583700       1.794500      0.3697000    
 C    5.520500      -2.208100     -0.7047000    
 C   -2.339200       1.021200      5.5000000E-02
 C   0.1628000       1.121500     -0.1478000    
 C   -3.430700      0.2381000      0.3983000    
 C   -2.501700       2.326500     -0.3844000    
 C   -4.715300      0.7730000      0.3002000    
 C   -3.906900      -2.067100      5.9599999E-02
 C   -3.786300       2.861100     -0.4827000    
 C   -4.893000       2.084400     -0.1405000    
 C   -3.085500      -3.338100      0.1597000    
 C  -0.9617000      -4.246900     -0.2721000    
 H    3.388200     -0.6933000       1.176100    
 H    3.232000      -1.208400     -0.4957000    
 H    4.532400       2.109400      0.4403000    
 H    5.098900       1.069000       1.754400    
 H    6.843800     -0.6726000     -0.1605000    
 H    5.862800      -1.252300       1.192400    
 H    2.584800       1.044400      -1.225600    
 H    2.636500       1.613100      0.4699000    
 H    7.371600       1.167100      0.7976000    
 H    6.707800       2.791000      0.8088000    
 H    6.751000       1.891000     -0.7086000    
 H    6.375300      -2.893800     -0.6790000    
 H    5.341000      -1.953600      -1.754900    
 H    4.663400      -2.769400     -0.3201000    
 H  -0.9672000     -0.4679000      0.4755000    
 H   -1.699500       2.991700     -0.6676000    
 H   -3.972100      -1.763000     -0.9931000    
 H   -4.916400      -2.239900      0.4475000    
 H   -5.586900      0.1835000      0.5713000    
 H   -3.926300       3.882400     -0.8251000    
 H   -5.893000       2.501500     -0.2151000    
 H   -3.568000      -4.141700     -0.4074000    
 H   -2.995800      -3.638200       1.210200    
 H  -0.8334000      -4.547400      0.7722000    
 H   1.9800000E-02  -4.002300     -0.6872000    
 H   -1.390800      -5.069900     -0.8518000    


%chk=000060282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060282

0 1
O 0.935991 -0.016681 -0.034663
O -3.575600 -0.975022 0.825733
O 0.190880 2.097905 -0.738852
O -1.191522 -2.455531 0.279872
N 4.671957 -0.251949 0.030323
N -1.299468 0.381731 -0.036928
C 3.256928 -0.644499 0.237884
C 5.181734 0.647541 1.101967
C 5.570724 -1.402212 -0.251466
C 2.322150 0.422756 -0.345716
C 6.328848 1.559592 0.627933
C 5.401188 -1.960551 -1.677301
C -2.552003 1.031773 -0.161348
C -0.067333 0.940854 -0.314496
C -3.720672 0.315208 0.244626
C -2.713133 2.355445 -0.655519
C -4.998208 0.898783 0.164200
C -3.529431 -2.122070 -0.113820
C -3.999128 2.930988 -0.737251
C -5.147526 2.214291 -0.329966
C -2.499530 -3.099337 0.435358
C -0.096485 -3.156751 0.951515
H 3.011511 -0.801306 1.316008
H 3.064437 -1.602021 -0.278474
H 4.341407 1.285182 1.434317
H 5.506794 0.062858 2.000186
H 6.611821 -1.050252 -0.135638
H 5.430964 -2.223919 0.497080
H 2.447419 0.502093 -1.439618
H 2.495526 1.419866 0.096400
H 7.208622 0.979108 0.296016
H 6.657340 2.223927 1.449006
H 5.993411 2.182119 -0.219533
H 6.101177 -2.799609 -1.849613
H 5.604054 -1.169915 -2.420250
H 4.377380 -2.337956 -1.854698
H -1.291012 -0.619701 0.254682
H -1.826538 2.915474 -0.959246
H -3.238255 -1.783151 -1.126743
H -4.529226 -2.596623 -0.161015
H -5.859337 0.317046 0.510062
H -4.098995 3.952964 -1.119453
H -6.141037 2.670869 -0.388491
H -2.528757 -4.057056 -0.128007
H -2.705783 -3.300607 1.507842
H -0.302177 -3.271938 2.035755
H 0.790231 -2.522830 0.805460
H 0.068763 -4.156482 0.500484


