%chk=000053068.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053068

0 1
 O  -0.1845000       2.658100     -0.2279000    
 O   -2.833900       2.960000     -0.2070000    
 O   -5.149400      0.9424000       1.157000    
 O    5.223400     -0.7406000     -8.4299996E-02
 O    4.270800       1.752400      0.6780000    
 N   -1.616500      -3.350700     -0.3083000    
 C  -0.6527000      -2.293300      9.4200000E-02
 C   -1.236200     -0.8804000     -1.4700000E-02
 C   0.6451000      -2.361400     -0.7424000    
 C   -2.632200     -0.6927000     -3.6100000E-02
 C   -2.891800      -3.161300      0.4011000    
 C  -0.3609000      0.2356000     -2.8600000E-02
 C   -3.564000      -1.872100     -6.1900001E-02
 C    1.606800      -1.258300     -0.3604000    
 C    1.103300      1.3500000E-02 -1.1500000E-02
 C   -3.160800      0.6000000     -0.1019000    
 C  -0.9299000       1.520300     -9.2500001E-02
 C   -1.110400      -4.698800     -2.9500000E-02
 C   -2.313100       1.700500     -0.1266000    
 C    2.989400      -1.496600     -0.3961000    
 C    2.031200       1.010100      0.3402000    
 C   -4.639900      0.8243000     -0.1636000    
 C    3.885600     -0.4889000     -5.4299999E-02
 C    3.406700      0.7614000      0.3192000    
 C   8.6499996E-02   3.095300      -1.555900    
 C   -2.531600       3.852600      0.8617000    
 C    5.816800      -1.239400       1.113200    
 C    4.742000       2.607900     -0.3610000    
 H  -0.3966000      -2.431800       1.156200    
 H   0.4251000      -2.270600      -1.814500    
 H    1.145500      -3.323100     -0.5860000    
 H   -2.734200      -3.142800       1.488400    
 H   -3.579200      -3.990100      0.1895000    
 H   -4.424300      -1.705000      0.5960000    
 H   -3.933300      -2.002900      -1.087100    
 H  -0.8288000      -4.825700       1.021900    
 H  -0.2481000      -4.940900     -0.6574000    
 H   -1.868200      -5.453000     -0.2727000    
 H    3.365700      -2.474500     -0.6876000    
 H    1.726000       1.985700      0.7023000    
 H   -4.885500       1.739700     -0.7135000    
 H   -5.167800      2.0199999E-02 -0.6856000    
 H   -6.107000       1.092900       1.081500    
 H   0.5325000       2.293000      -2.152700    
 H   0.7977000       3.924500      -1.503400    
 H  -0.8275000       3.453200      -2.039300    
 H   -2.263500       3.325600       1.784300    
 H   -3.424500       4.452700       1.061100    
 H   -1.728000       4.532800      0.5661000    
 H    6.885700      -1.381700      0.9322000    
 H    5.376400      -2.203600       1.386300    
 H    5.692600     -0.5238000       1.932200    
 H    3.906700       3.138600     -0.8288000    
 H    5.291400       2.033900      -1.113800    
 H    5.419800       3.343100      8.1400000E-02


%chk=000053068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053068

0 1
O -0.099318 2.690567 -0.249742
O -2.869006 3.031720 -0.351809
O -5.223594 0.771446 1.154385
O 5.268821 -0.963258 -0.144354
O 4.339279 1.665561 0.766525
N -1.627830 -3.364508 -0.212772
C -0.644853 -2.280424 0.045810
C -1.265459 -0.879170 -0.058054
C 0.554838 -2.342334 -0.928923
C -2.666655 -0.693922 -0.099836
C -2.883144 -3.127539 0.540394
C -0.364749 0.239245 -0.110963
C -3.600200 -1.891444 -0.014582
C 1.573089 -1.294028 -0.523542
C 1.104318 -0.013838 -0.090163
C -3.214881 0.617269 -0.198019
C -0.927843 1.542517 -0.212945
C -1.077683 -4.707560 0.070553
C -2.335818 1.720662 -0.241732
C 2.953644 -1.577025 -0.523755
C 2.061987 0.947140 0.333656
C -4.704162 0.855317 -0.243332
C 3.898056 -0.619133 -0.098750
C 3.440071 0.662376 0.317765
C -0.094736 3.405047 -1.547622
C -2.851889 3.773209 0.932356
C 5.966040 -0.926377 1.163321
C 5.228000 2.190969 -0.294466
H -0.229941 -2.387075 1.088312
H 0.172540 -2.165479 -1.954536
H 1.025222 -3.339631 -0.917854
H -2.686686 -2.992766 1.635674
H -3.529644 -4.017119 0.429413
H -4.465346 -1.642437 0.627278
H -3.989468 -2.133490 -1.023823
H -0.706552 -4.816787 1.121663
H -0.246158 -4.946594 -0.612604
H -1.867466 -5.461212 -0.094261
H 3.322786 -2.559464 -0.837366
H 1.743187 1.935641 0.666562
H -4.901467 1.859939 -0.659524
H -5.204357 0.089985 -0.870977
H -6.198494 0.956090 1.132469
H 0.307506 2.747901 -2.341780
H 0.570468 4.270568 -1.403540
H -1.115355 3.740118 -1.802323
H -3.479850 3.247528 1.676184
H -3.273559 4.765763 0.709407
H -1.815182 3.871756 1.302175
H 7.018683 -1.157655 0.939418
H 5.545652 -1.697699 1.836440
H 5.875309 0.069146 1.632987
H 4.628873 2.682753 -1.084784
H 5.837454 1.381960 -0.738082
H 5.873924 2.932070 0.201170


