%chk=000158701.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158701

0 1
 O   -3.034000      0.8440000       2.314100    
 O   -3.493600       2.405700      -1.554600    
 O   -3.478700       3.030800      0.6693000    
 O    6.240500       1.805200      0.5502000    
 N  -0.8072000      -2.264900     -0.4649000    
 N    1.617100      0.5893000     -0.4845000    
 C   -2.864600     -0.1806000     -0.6116000    
 C   -3.214100      -1.660600     -0.3327000    
 C   -1.399400      0.1202000     -0.2309000    
 C  -0.4380000     -0.8848000     -0.8863000    
 C   -3.914600      0.7454000      4.1400000E-02
 C   -2.154800      -2.601800     -0.9349000    
 C   -3.419900      -1.924200       1.171400    
 C   -4.165800      0.4767000       1.531000    
 C   -4.484600      -1.000800       1.767600    
 C   0.9935000     -0.6255000     -0.5260000    
 C   0.1865000      -3.263200     -0.9152000    
 C    1.927700      -1.600300     -0.2449000    
 C    1.555500      -3.041600     -0.2300000    
 C   -3.605400       2.192200     -0.2127000    
 C    3.166000     -0.9522000      9.8999999E-03
 C    2.943400      0.4204000     -0.1461000    
 C    4.458700      -1.393700      0.3560000    
 C    3.955000       1.371900      2.8200001E-02
 C    5.478300     -0.4519000      0.5341000    
 C    5.228100      0.9091000      0.3722000    
 C   -3.198900       3.751800      -1.940600    
 C    5.923300       3.183400      0.3708000    
 H   -2.931700     -4.3699998E-02  -1.701200    
 H   -4.166800      -1.882300     -0.8346000    
 H   -1.258100      9.7300000E-02  0.8549000    
 H   -1.142000       1.136400     -0.5529000    
 H  -0.5200000     -0.8000000      -1.979800    
 H   -4.874600      0.5588000     -0.4642000    
 H   -2.404500      -3.632100     -0.6517000    
 H   -2.201900      -2.554600      -2.031100    
 H   -2.480400      -1.799800       1.722600    
 H   -3.731900      -2.965100       1.321400    
 H   -5.005600       1.089200       1.880900    
 H   -5.458000      -1.239700       1.322000    
 H   -4.559700      -1.202200       2.842700    
 H   0.3018000      -3.217400      -2.006500    
 H  -0.1507000      -4.277000     -0.6671000    
 H    2.319500      -3.641300     -0.7369000    
 H    1.502000      -3.380900      0.8119000    
 H    1.179200       1.481000     -0.6704000    
 H   -3.250500      0.6690000       3.245600    
 H    4.669100      -2.451600      0.4851000    
 H    3.699400       2.414700     -0.1126000    
 H    6.475100     -0.7942000      0.8013000    
 H   -2.234500       4.061200      -1.526400    
 H   -3.996100       4.424200      -1.609600    
 H   -3.139900       3.787300      -3.031600    
 H    5.186900       3.527200       1.105200    
 H    5.615100       3.396000     -0.6587000    
 H    6.841500       3.752100      0.5513000    


%chk=000158701-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158701

0 1
O -3.005861 0.806044 2.367590
O -3.999015 2.538387 -1.521951
O -3.095301 2.961850 0.572877
O 6.375479 1.740978 0.657024
N -0.791472 -2.313425 -0.529675
N 1.631184 0.581730 -0.512746
C -2.869272 -0.239800 -0.632636
C -3.216477 -1.726236 -0.326293
C -1.406965 0.076366 -0.230513
C -0.436027 -0.917602 -0.917098
C -3.944779 0.693658 0.026659
C -2.160266 -2.647365 -0.980634
C -3.368856 -1.977178 1.193030
C -4.166443 0.431026 1.549112
C -4.445658 -1.059012 1.810819
C 1.009014 -0.681999 -0.559222
C 0.222918 -3.311916 -0.959067
C 1.937556 -1.663104 -0.232116
C 1.555099 -3.120421 -0.196117
C -3.633170 2.156550 -0.235709
C 3.194066 -0.993395 0.042600
C 2.971289 0.416945 -0.140851
C 4.491820 -1.428427 0.424153
C 3.983380 1.387406 0.044518
C 5.510740 -0.482116 0.613610
C 5.257430 0.911188 0.427197
C -3.710048 3.948304 -1.892890
C 6.184216 3.180244 0.500346
H -2.952716 -0.093553 -1.731479
H -4.192056 -1.951969 -0.812099
H -1.278771 0.020446 0.862166
H -1.152241 1.109321 -0.545942
H -0.564102 -0.793278 -2.032824
H -4.901666 0.470085 -0.486828
H -2.368588 -3.698766 -0.705603
H -2.252432 -2.570409 -2.098467
H -2.400776 -1.814152 1.696431
H -3.644818 -3.036606 1.362084
H -5.047750 1.031162 1.870947
H -5.443275 -1.309332 1.394666
H -4.498268 -1.204687 2.905067
H 0.417478 -3.244644 -2.061029
H -0.187335 -4.318328 -0.755761
H 2.336597 -3.754693 -0.660047
H 1.432440 -3.466536 0.849451
H 1.164867 1.473122 -0.663202
H -2.792959 1.755191 2.145186
H 4.701876 -2.493134 0.574807
H 3.782167 2.453116 -0.099207
H 6.520742 -0.780855 0.909861
H -2.628670 4.150270 -1.815777
H -4.255021 4.634653 -1.223942
H -4.060155 4.040415 -2.930048
H 5.422893 3.567110 1.207282
H 5.888604 3.439698 -0.536272
H 7.162054 3.630171 0.728461


