%chk=000041609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041609

0 1
 O    3.084100     -0.7052000     -0.3729000    
 O   -4.573600      -1.327400      0.5910000    
 O    1.614200      0.7655000      0.5792000    
 N    6.573300      0.5135000     -0.3783000    
 N   0.9100000      -1.291900     -0.2995000    
 C    7.687000      0.2025000      -1.285300    
 C    6.999400      0.4516000       1.026900    
 C    8.849400       1.176700      -1.086300    
 C    8.139300       1.433600       1.301500    
 C    9.317300       1.192400      0.3643000    
 C    5.452500     -0.3964000     -0.6134000    
 C    4.153600      0.2098000     -0.1070000    
 C   -7.429800       1.064100      0.1020000    
 C   -8.891900      0.9163000     -0.3285000    
 C   -6.668700     -0.2603000      0.1329000    
 C   -9.646900       2.245000     -0.3832000    
 C   -5.231200     -6.7800000E-02  0.5977000    
 C    1.836700     -0.3044000      2.5900001E-02
 C   -11.10980       2.036600     -0.7447000    
 C   -3.220900      -1.317800      0.3696000    
 C  -0.4673000      -1.300300     -7.7100001E-02
 C   -2.609200      -2.403400     -0.2574000    
 C   -2.455800     -0.2235000      0.7733000    
 C   -1.232400      -2.394500     -0.4807000    
 C   -1.079100     -0.2148000      0.5499000    
 H    7.354400      0.2843000      -2.327400    
 H    8.037300     -0.8270000      -1.133700    
 H    7.322100     -0.5639000       1.292900    
 H    6.177400      0.7159000       1.700000    
 H    9.683000      0.8971000      -1.740400    
 H    8.536800       2.186800      -1.380600    
 H    7.776800       2.461900       1.176200    
 H    8.469800       1.336000       2.341800    
 H    10.07660       1.969100      0.5067000    
 H    9.788000      0.2320000      0.6076000    
 H    5.620600      -1.388600     -0.1739000    
 H    5.321200     -0.5750000      -1.689600    
 H    3.950700       1.156900     -0.6218000    
 H    4.186800      0.3888000      0.9724000    
 H   -6.924100       1.755700     -0.5832000    
 H   -7.396700       1.524300       1.097400    
 H   -8.929800      0.4391000      -1.315700    
 H   -9.399900      0.2390000      0.3694000    
 H   -7.173900     -0.9723000      0.7974000    
 H   -6.673800     -0.7223000     -0.8621000    
 H   -9.585300       2.747100      0.5892000    
 H   -9.179700       2.907000      -1.121200    
 H   -4.750300      0.6434000     -8.6599998E-02
 H   -5.216300      0.3394000       1.615300    
 H   -11.20730       1.559700      -1.725200    
 H   -11.61150       1.406000     -3.8000001E-03
 H   -11.63140       2.998100     -0.7811000    
 H    1.289600      -2.115400     -0.7603000    
 H   -3.200300      -3.258400     -0.5736000    
 H   -2.889400      0.6280000       1.289500    
 H  -0.7688000      -3.247300     -0.9701000    
 H  -0.5509000      0.6631000      0.8957000    


%chk=000041609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041609

0 1
O 3.267813 -0.731232 -0.522964
O -4.608381 -1.042754 -0.354004
O 1.780003 1.050762 -0.106412
N 6.860507 0.245290 -0.175488
N 1.050947 -1.165515 -0.539095
C 8.085198 -0.198747 -0.887322
C 7.122499 0.473865 1.269013
C 9.205876 0.853437 -0.755715
C 8.211800 1.546222 1.471802
C 9.509273 1.150368 0.731247
C 5.683795 -0.621903 -0.416249
C 4.401955 0.220844 -0.383343
C -7.727521 1.115383 0.064236
C -9.238135 0.793590 0.011130
C -6.840964 -0.130746 -0.161720
C -10.132979 2.035716 0.223307
C -5.349907 0.207971 -0.108554
C 1.986312 -0.162402 -0.363902
C -11.640645 1.707334 0.167103
C -3.205163 -0.973278 -0.375740
C -0.367898 -1.053251 -0.470988
C -2.535795 -2.195299 -0.634753
C -2.448086 0.204311 -0.161989
C -1.132960 -2.233407 -0.681640
C -1.037033 0.167216 -0.208871
H 7.832773 -0.350785 -1.953289
H 8.458231 -1.179893 -0.487917
H 7.446957 -0.478568 1.768389
H 6.184179 0.793500 1.758236
H 10.113735 0.490755 -1.275381
H 8.877658 1.783299 -1.259189
H 7.838005 2.511336 1.078980
H 8.403849 1.675158 2.554463
H 10.266545 1.952182 0.819158
H 9.940883 0.244284 1.205793
H 5.599697 -1.452072 0.325949
H 5.777025 -1.088729 -1.413772
H 4.379285 0.943999 -1.216619
H 4.288477 0.777604 0.563436
H -7.492168 1.883276 -0.702434
H -7.486965 1.571618 1.047489
H -9.480465 0.331300 -0.968513
H -9.479442 0.032459 0.782136
H -7.062672 -0.898102 0.604660
H -7.068698 -0.584065 -1.145662
H -9.890455 2.497460 1.202384
H -9.889565 2.795567 -0.547293
H -5.085332 0.955617 -0.886244
H -5.070250 0.617805 0.885134
H -11.915812 1.274195 -0.813148
H -11.915169 0.971787 0.946781
H -12.258465 2.610815 0.322610
H 1.440320 -2.088501 -0.741514
H -3.131447 -3.098542 -0.796698
H -2.938225 1.160470 0.042359
H -0.627350 -3.186162 -0.883886
H -0.453746 1.075556 -0.044389


