%chk=000163958.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163958

0 1
 O   -5.200700      0.9628000     -0.8540000    
 O   0.3624000      -1.583700      -2.010500    
 O    2.418500      -1.958300       2.133600    
 O   -2.706900       1.863300     -1.6300000E-02
 N  -2.2700001E-02  -2.881400     -0.1218000    
 N    1.706400      -1.451900     -6.6100001E-02
 N   -2.507900      -1.577200     -0.7642000    
 N   -1.905700     -0.1992000       2.813300    
 C   -1.185400      -3.623600     -0.5620000    
 C   0.5126000      -3.052100       1.198700    
 C   -2.472900      -2.909700     -0.1771000    
 C   0.6712000      -1.927800     -0.8758000    
 C    1.668400      -2.079300       1.173000    
 C   -3.730900     -0.8773000     -0.3953000    
 C   -4.009200      0.3167000      -1.311600    
 C    2.664100     -0.4619000     -0.4558000    
 C   -2.877100       1.341400      -1.330600    
 C    3.949700     -0.4842000      8.5299999E-02
 C    2.312200      0.5248000      -1.377100    
 C    4.883100      0.4802000     -0.2945000    
 C    3.245800       1.489000      -1.756900    
 C    4.531300       1.466700      -1.215600    
 C   -1.440700       2.250400      0.3327000    
 C  -0.7761000       1.663500       1.409600    
 C  -0.8156000       3.251700     -0.4107000    
 C   0.5134000       2.077800       1.742900    
 C   0.4740000       3.665700     -7.7399999E-02
 C    1.138400       3.078800      0.9993000    
 C   -1.399900      0.6349000       2.184700    
 H   -1.132900      -3.734000      -1.651700    
 H   -1.149500      -4.626100     -0.1224000    
 H  -0.2232000      -2.762600       1.951400    
 H   0.8677000      -4.076300       1.331900    
 H   -2.539000      -2.837700      0.9151000    
 H   -3.323000      -3.507700     -0.5261000    
 H   -3.693800     -0.5568000      0.6509000    
 H   -4.598400      -1.547500     -0.4670000    
 H   -2.449400      -1.658300      -1.779200    
 H   -4.197200     -3.8100000E-02  -2.332000    
 H   -1.951600      0.8913000      -1.711100    
 H   -3.150200       2.176300      -1.986600    
 H    4.272900      -1.254600      0.7777000    
 H    1.312600      0.5990000      -1.792700    
 H   -5.387100       1.697900      -1.462600    
 H    5.886300      0.4591000      0.1210000    
 H    2.969400       2.262900      -2.467000    
 H    5.257700       2.218100      -1.510800    
 H   -1.322700       3.724600      -1.247200    
 H    1.046500       1.628500       2.577600    
 H   0.9610000       4.445100     -0.6560000    
 H    2.143400       3.399900       1.257500    


%chk=000163958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163958

0 1
O -4.669042 1.227633 -1.479249
O 0.542694 -2.329958 -2.255145
O 2.073561 -0.527753 1.861084
O -2.214690 1.129338 0.308515
N -0.001646 -2.759401 0.004909
N 1.563276 -1.149021 -0.398605
N -2.547253 -1.801542 -1.131147
N -2.940100 -0.186862 3.456853
C -1.138175 -3.648596 -0.251795
C 0.318001 -2.196846 1.316853
C -2.504256 -2.924267 -0.180577
C 0.662923 -2.113991 -1.022161
C 1.427100 -1.185219 1.010394
C -3.708079 -0.901334 -1.009068
C -3.438230 0.453365 -1.691245
C 2.455735 -0.287575 -1.130962
C -2.178666 1.154741 -1.160526
C 3.642596 0.188983 -0.515495
C 2.141730 0.102527 -2.459478
C 4.501429 1.051753 -1.229214
C 3.016709 0.958526 -3.161261
C 4.197873 1.441756 -2.553292
C -1.149353 1.685268 1.008168
C -1.145380 1.434920 2.417293
C -0.111782 2.453094 0.428317
C -0.122931 1.995970 3.226089
C 0.899394 2.995039 1.251312
C 0.893322 2.781344 2.648118
C -2.139822 0.568924 2.986203
H -0.988381 -4.074839 -1.260507
H -1.122473 -4.481528 0.475664
H -0.541778 -1.670022 1.775060
H 0.680395 -2.959545 2.030042
H -2.670759 -2.518217 0.835998
H -3.297743 -3.695518 -0.346267
H -3.886732 -0.702453 0.061488
H -4.651827 -1.311646 -1.434624
H -2.357526 -2.101783 -2.096728
H -3.265408 0.302317 -2.783508
H -1.279442 0.611837 -1.511082
H -2.142130 2.205117 -1.521635
H 3.877186 -0.096243 0.511357
H 1.247015 -0.291506 -2.945191
H -4.576097 2.124431 -1.889365
H 5.415528 1.413376 -0.745369
H 2.772585 1.244084 -4.190623
H 4.872888 2.105912 -3.103921
H -0.077495 2.623536 -0.650987
H -0.126827 1.789811 4.300806
H 1.704285 3.577364 0.790307
H 1.687097 3.197797 3.274698


