%chk=000151735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151735

0 1
 O  -0.4054000       3.061900     -0.9219000    
 O   0.5250000       2.389800       1.147700    
 O   -2.211100       3.469000       1.375200    
 O    1.967400       1.059600      -1.543000    
 O    4.106600     -0.4702000      -1.097500    
 O    4.040000      -2.476500      0.7973000    
 O   -3.768300      -3.183700      -1.455600    
 N   -3.769800      -1.332500     -4.3800000E-02
 C  -0.6133000      0.7036000     -0.2851000    
 C  -0.5076000       2.180500      0.2065000    
 C   -1.956600      0.2490000      0.2659000    
 C   0.6022000     -0.1759000      6.4300001E-02
 C   -2.340900      -1.193200      0.1020000    
 C  -0.7445000      0.9489000      -1.765700    
 C   -1.805700      -2.048500       1.256600    
 C   -1.842400       2.411500      0.8861000    
 C   -2.661500       1.193400      0.9039000    
 C   0.6027000      -1.185900       1.059900    
 C  -0.5735000      -1.475500       1.964600    
 C  -0.6110000       2.247200      -2.011000    
 C    1.813500      4.5899998E-02 -0.6363000    
 C    1.770800      -1.948000       1.278000    
 C    2.959100     -0.7155000     -0.4019000    
 C    2.935200      -1.720100      0.5510000    
 C   0.5037000       3.714000       1.670700    
 C   -4.361200      -2.320500     -0.8138000    
 C   -5.864300      -2.253800     -0.7722000    
 C    2.981900       2.019000      -1.266900    
 C    4.290200      -1.187900      -2.315300    
 C    4.938500      -2.005600       1.800500    
 H   -1.897800      -1.565300     -0.8309000    
 H  -0.9072000      0.1896000      -2.517000    
 H   -1.580500      -3.053700      0.8759000    
 H   -2.588800      -2.187400       2.014500    
 H   -3.615900       1.113300       1.394300    
 H  -0.2801000      -2.193400       2.742100    
 H  -0.8241000     -0.5630000       2.520500    
 H  -0.6316000       2.752400      -2.959700    
 H   -4.378800     -0.7288000      0.5006000    
 H    1.774200      -2.728700       2.037100    
 H    1.514500       3.932800       2.030000    
 H   0.2521000       4.476300      0.9273000    
 H  -0.1520000       3.773400       2.543700    
 H   -6.282400      -2.882300      -1.563300    
 H   -6.217600      -2.612700      0.1983000    
 H   -6.204400      -1.225700     -0.9269000    
 H    3.294100       2.026400     -0.2163000    
 H    2.576000       3.009200      -1.496400    
 H    3.841300       1.859000      -1.924100    
 H    4.339700      -2.264400      -2.123800    
 H    5.236100     -0.8688000      -2.761300    
 H    3.480800     -0.9691000      -3.019000    
 H    5.332800      -1.020100       1.533300    
 H    4.437200      -1.959200       2.772500    
 H    5.772800      -2.708900       1.870300    


%chk=000151735-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151735

0 1
O -0.829039 2.972887 -0.952134
O 0.590401 2.584921 0.960162
O -2.277936 3.485733 1.721904
O 1.893542 0.862373 -1.472445
O 4.116651 -0.797555 -0.956654
O 3.959403 -2.680203 1.262175
O -3.254405 -1.795152 -2.248185
N -3.673108 -1.615928 0.031651
C -0.609045 0.660613 -0.083000
C -0.612569 2.191157 0.334561
C -1.957315 0.171082 0.467964
C 0.607313 -0.191037 0.322905
C -2.276875 -1.307884 0.367679
C -0.875618 0.734431 -1.595530
C -1.858634 -1.976586 1.711800
C -1.942796 2.418815 1.135012
C -2.697613 1.161775 1.058127
C 0.584452 -1.128020 1.407062
C -0.611556 -1.299536 2.342751
C -1.019640 2.025117 -1.978506
C 1.823101 -0.058698 -0.408534
C 1.736063 -1.892912 1.696752
C 2.954358 -0.884574 -0.150862
C 2.919396 -1.795307 0.934913
C 0.666693 4.002732 1.402046
C -4.074738 -1.834164 -1.280879
C -5.558981 -2.123038 -1.478739
C 2.884477 1.954445 -1.303442
C 3.917996 -1.271922 -2.349265
C 5.323154 -2.118609 1.389536
H -1.667268 -1.733029 -0.449887
H -0.974923 -0.146317 -2.228905
H -1.674546 -3.051564 1.532167
H -2.696503 -1.894869 2.434884
H -3.708364 1.067335 1.461223
H -0.296181 -1.907858 3.208823
H -0.910222 -0.316016 2.750002
H -1.247857 2.456975 -2.952305
H -4.363916 -1.650185 0.782897
H 1.735292 -2.596518 2.535208
H 1.718965 4.144339 1.693419
H 0.398559 4.673203 0.568144
H -0.007066 4.182582 2.254381
H -6.001419 -1.322965 -2.097519
H -5.670160 -3.067335 -2.038061
H -6.125437 -2.195827 -0.534142
H 2.632735 2.528749 -0.396204
H 2.766499 2.584759 -2.198279
H 3.909093 1.546488 -1.244702
H 3.630588 -2.339561 -2.348483
H 4.892679 -1.142949 -2.844651
H 3.144216 -0.666913 -2.853561
H 5.643799 -1.643581 0.448654
H 5.352650 -1.382069 2.215532
H 5.961755 -2.980929 1.634438


