%chk=000053748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053748

0 1
 O   0.7402000     -0.2304000      -1.396100    
 O   -2.367300      -1.506400      0.1950000    
 N    2.819800      0.9099000     -3.7999999E-02
 N   0.4290000      -1.834700      0.2483000    
 C    3.570100       1.870200      0.7939000    
 C    4.518700       2.695500     -9.6500002E-02
 C    3.682900      9.6000005E-03 -0.8108000    
 C    5.442500       1.818500     -0.9364000    
 C    4.632400      0.7921000      -1.718100    
 C    1.818200      0.1593000      0.7143000    
 C    4.326400       1.256400       1.982400    
 C   0.9538000     -0.6357000     -0.2501000    
 C  -0.4195000      -2.709100     -0.5523000    
 C   0.6921000      -2.299500       1.608400    
 C   -1.697100      -1.982200     -0.9667000    
 C   0.3488000      -3.206600      -1.769900    
 C    1.933400      -3.165600       1.668200    
 C   -3.118100     -0.3698000      5.1300000E-02
 C   -3.287400      0.5040000       1.120300    
 C   -3.708400     -0.1027000      -1.179900    
 C   -4.055200       1.657100      0.9567000    
 C   -4.649400       1.930200     -0.2755000    
 C   -4.476000       1.050300      -1.343800    
 C   -2.659900      0.2265000       2.446300    
 C   -5.470200       3.162900     -0.4509000    
 H    2.846800       2.582900       1.212900    
 H    3.919500       3.322900     -0.7701000    
 H    5.117000       3.381900      0.5145000    
 H    4.265500     -0.6406000     -0.1460000    
 H    3.118100     -0.6597000      -1.467200    
 H    6.021000       2.441400      -1.627700    
 H    6.164700       1.306300     -0.2902000    
 H    5.310900      9.9900000E-02  -2.229600    
 H    4.052900       1.303700      -2.497300    
 H    1.149200      0.8373000       1.257000    
 H    2.332300     -0.4773000       1.431800    
 H    4.888300       2.031600       2.515500    
 H    3.638600      0.8109000       2.708000    
 H    5.040700      0.4871000       1.675400    
 H  -0.6993000      -3.579700      5.3500000E-02
 H   0.7801000      -1.453200       2.295700    
 H  -0.1758000      -2.863000       1.971600    
 H   -2.359100      -2.685900      -1.486700    
 H   -1.451900      -1.170700      -1.661300    
 H    1.296600      -3.669500      -1.474000    
 H   0.5777000      -2.413400      -2.487500    
 H  -0.2374000      -3.963000      -2.303600    
 H    1.800600      -4.077700       1.076800    
 H    2.817200      -2.651600       1.279100    
 H    2.138500      -3.463400       2.701200    
 H   -3.629600     -0.7752000      -2.028700    
 H   -4.191500       2.346900       1.786300    
 H   -4.938600       1.249500      -2.306900    
 H   -2.917300      0.9886000       3.189500    
 H   -3.000400     -0.7391000       2.834600    
 H   -1.568900      0.2107000       2.352700    
 H   -6.235700       3.023800      -1.221800    
 H   -4.830200       4.002100     -0.7412000    
 H   -5.993000       3.422900      0.4758000    


%chk=000053748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053748

0 1
O 1.376991 -0.508187 -1.540444
O -2.242880 -0.982647 0.201770
N 3.519307 0.712387 -0.166829
N 0.632128 -1.661324 0.335899
C 4.207804 1.768744 0.631984
C 4.988348 2.701627 -0.330629
C 4.409733 -0.089511 -1.038344
C 5.957176 1.918677 -1.247059
C 5.185481 0.820455 -2.011392
C 2.555190 -0.078450 0.596029
C 5.114230 1.229010 1.781182
C 1.478054 -0.754233 -0.296713
C -0.400718 -2.391506 -0.463098
C 0.609981 -1.901784 1.800491
C -1.489099 -1.435033 -0.982134
C 0.201176 -3.243763 -1.603033
C 1.293379 -3.226239 2.207732
C -3.289010 -0.060655 0.001014
C -3.981899 0.338286 1.182176
C -3.659866 0.451474 -1.262231
C -5.044338 1.256354 1.046839
C -5.441678 1.789448 -0.209894
C -4.730596 1.371240 -1.357051
C -3.569577 -0.220784 2.529035
C -6.593613 2.776110 -0.305738
H 3.404441 2.372958 1.103366
H 4.252137 3.233955 -0.963045
H 5.535852 3.461110 0.261043
H 5.135067 -0.704832 -0.442642
H 3.775908 -0.783705 -1.615046
H 6.447367 2.612713 -1.956344
H 6.766670 1.458198 -0.645013
H 5.877298 0.205199 -2.618922
H 4.457812 1.290973 -2.699565
H 2.037214 0.603160 1.301915
H 3.034918 -0.876436 1.223034
H 5.521016 2.071803 2.370444
H 4.541629 0.582639 2.472181
H 5.967845 0.642844 1.397217
H -0.896763 -3.074360 0.252890
H 1.089459 -1.057566 2.321128
H -0.449042 -1.903121 2.119267
H -2.169789 -1.975566 -1.671890
H -1.031811 -0.578224 -1.508172
H 0.992018 -3.903906 -1.205067
H 0.642205 -2.604748 -2.383323
H -0.583869 -3.879489 -2.052880
H 0.813246 -4.090342 1.713605
H 2.361920 -3.223560 1.927120
H 1.221090 -3.377151 3.300765
H -3.127746 0.152580 -2.169862
H -5.581795 1.567783 1.952424
H -5.009309 1.765752 -2.341524
H -4.204454 0.182039 3.336651
H -3.642486 -1.324314 2.542140
H -2.515200 0.025943 2.756496
H -6.763558 3.095105 -1.348729
H -6.400059 3.684929 0.295330
H -7.537635 2.335139 0.067646


