%chk=000060977.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060977

0 1
 O    3.259700       1.692000      0.3376000    
 O    3.870100      0.9204000      -1.752500    
 N  -0.8161000      0.8505000      0.6335000    
 C    2.145300      0.7842000      0.3569000    
 C    1.190000       1.236800     -0.7717000    
 C    1.402500       1.011400       1.693600    
 C  -0.2046000      0.6056000     -0.6785000    
 C   2.8500000E-02  0.3389000       1.719500    
 C    2.732000     -0.6246000      0.2398000    
 C   -2.151400      0.2574000      0.6971000    
 C   -3.080300      0.8865000     -0.3418000    
 C    2.396400      -1.430300     -0.8474000    
 C    3.600600      -1.100400       1.220900    
 C    4.037400       1.649300     -0.7841000    
 C   -4.467400      0.2992000     -0.2717000    
 C    2.930600      -2.714400     -0.9537000    
 C    4.135100      -2.384500       1.114500    
 C    3.800000      -3.191400      2.7300000E-02
 C    5.152700       2.643200     -0.6646000    
 C   -4.775300     -0.8141000      -1.039000    
 C   -5.412600      0.8824000      0.5586000    
 C   -6.058500      -1.357100     -0.9745000    
 C   -6.695800      0.3393000      0.6233000    
 C   -7.018800     -0.7804000     -0.1433000    
 H    1.575900       1.063500      -1.780700    
 H    1.075100       2.330200     -0.7125000    
 H    1.276100       2.091900       1.856000    
 H    1.993700      0.6714000       2.551400    
 H  -0.7777000       1.082700      -1.478400    
 H  -0.1798000     -0.4667000     -0.8972000    
 H   0.1376000     -0.7514000       1.658800    
 H  -0.4383000      0.5645000       2.686100    
 H   -2.105700     -0.8315000      0.5588000    
 H   -2.578200      0.4294000       1.694200    
 H   -2.730700      0.7349000      -1.368200    
 H   -3.133700       1.974000     -0.1988000    
 H    1.749400      -1.106000      -1.652800    
 H    3.887800     -0.4842000       2.068100    
 H    2.675400      -3.341000      -1.803300    
 H    4.815200      -2.754600       1.876100    
 H    4.217900      -4.190300     -5.6699999E-02
 H    5.776700       2.397100      0.1982000    
 H    4.741700       3.651200     -0.5686000    
 H    5.772000       2.603300      -1.565300    
 H   -4.034000      -1.272600      -1.687400    
 H   -5.170300       1.753400       1.160700    
 H   -6.309800      -2.229400      -1.570800    
 H   -7.443500      0.7879000       1.270800    
 H   -8.017800      -1.203300     -9.2699997E-02


%chk=000060977-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060977

0 1
O 3.280970 1.749027 0.285705
O 4.124180 1.229844 -1.842358
N -0.832642 0.697219 0.391784
C 2.143711 0.722949 0.196427
C 1.220185 1.081315 -0.992110
C 1.366382 1.002515 1.506480
C -0.160593 0.393317 -0.895099
C 0.014010 0.264944 1.532630
C 2.781330 -0.677149 0.167623
C -2.208229 0.150542 0.468108
C -3.221717 0.946644 -0.399229
C 2.614943 -1.577564 -0.912945
C 3.598543 -1.081138 1.257406
C 4.197534 1.861092 -0.764027
C -4.633846 0.402192 -0.246040
C 3.225181 -2.851290 -0.896674
C 4.215996 -2.349350 1.275075
C 4.025228 -3.246159 0.198412
C 5.294433 2.837970 -0.387335
C -5.096868 -0.658256 -1.067814
C -5.504643 0.908882 0.753463
C -6.392044 -1.197666 -0.898425
C -6.801025 0.373578 0.927567
C -7.249512 -0.683598 0.101832
H 1.700824 0.844474 -1.954728
H 1.061052 2.175077 -0.959953
H 1.179660 2.089853 1.562117
H 1.967877 0.715602 2.386060
H -0.787807 0.763993 -1.725176
H -0.052818 -0.713057 -1.033736
H 0.186167 -0.842209 1.528428
H -0.513673 0.511983 2.472208
H -2.246929 -0.930518 0.175949
H -2.538222 0.205648 1.522990
H -2.916969 0.900442 -1.461702
H -3.168911 2.006405 -0.089396
H 2.029709 -1.283509 -1.788458
H 3.771574 -0.389984 2.089855
H 3.084741 -3.529962 -1.745461
H 4.846492 -2.636914 2.124120
H 4.501082 -4.233140 0.209182
H 6.037921 2.322966 0.248639
H 4.888146 3.683622 0.190080
H 5.798960 3.197272 -1.296700
H -4.439598 -1.057907 -1.850688
H -5.165246 1.733357 1.393409
H -6.733475 -2.013485 -1.546016
H -7.461458 0.782340 1.701050
H -8.255509 -1.097911 0.233065


