%chk=000042089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042089

0 1
 O    2.440300       1.677100       2.230700    
 O    2.470800      -1.761300     -0.3471000    
 O   0.3265000       2.470100      -2.197400    
 O   -1.339700      -1.423900       1.071200    
 O   -3.089000     -0.6135000     -0.8325000    
 O    3.012300      -3.994500     -0.2059000    
 N    4.945600       1.502800      0.7283000    
 N    2.058900       1.419400     -0.1129000    
 N    3.397700      -2.798000      -2.131300    
 C    3.958400      0.4290000      0.8568000    
 C    2.525800      0.7665000       1.134200    
 C    4.324200      0.9875000     -0.4793000    
 C    3.132600       1.685300      -1.065800    
 C    1.488800     -0.3872000       1.342500    
 C   0.7776000       1.013100     -0.4062000    
 C   0.3778000      3.0700000E-02  0.4000000    
 C    1.990800      -1.784400      0.9842000    
 C  -6.4800002E-02   1.560600      -1.473800    
 C  -0.9616000     -0.5475000      0.3018000    
 C    3.140800       1.187200       3.363000    
 C   -1.432900      0.9553000      -1.621000    
 C   -1.843900     -1.9500000E-02 -0.7818000    
 C   -2.238000       1.534300      -2.752700    
 C    2.963700      -2.943900     -0.8369000    
 C   -4.011100      8.5100003E-02 -1.9099999E-02
 C   -5.370300     -0.5920000     -0.1231000    
 C   -6.415200      0.1043000      0.7461000    
 C   -7.766000     -0.6065000      0.6688000    
 C   -8.800100      6.3800000E-02   1.559300    
 H    4.343300     -0.5109000       1.212600    
 H    4.934500      0.4234000      -1.165700    
 H    5.886100       1.122400      0.8275000    
 H    2.902900       1.266400      -2.051500    
 H    3.303400       2.762000      -1.164600    
 H    1.095500     -0.3919000       2.365800    
 H    2.790400      -2.086600       1.670300    
 H    1.178300      -2.516300       1.068000    
 H    2.776500       1.736000       4.237000    
 H    4.212700       1.388900       3.288300    
 H    2.968800      0.1221000       3.546100    
 H   -2.424800       2.599700      -2.583300    
 H   -3.208500       1.039700      -2.860000    
 H   -1.705300       1.416700      -3.702200    
 H   -4.099400       1.128500     -0.3482000    
 H   -3.679300      7.8199998E-02   1.027000    
 H    3.337400      -1.905800      -2.610400    
 H    3.792900      -3.576700      -2.647400    
 H   -5.272900      -1.644700      0.1708000    
 H   -5.693900     -0.6017000      -1.171500    
 H   -6.071600      0.1238000       1.787600    
 H   -6.527900       1.146600      0.4238000    
 H   -7.654600      -1.653300      0.9749000    
 H   -8.127200     -0.6077000     -0.3662000    
 H   -8.483400      5.0700001E-02   2.607100    
 H   -8.958600       1.105000       1.260900    
 H   -9.758600     -0.4597000       1.487500    


%chk=000042089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042089

0 1
O 2.819970 1.936690 1.910112
O 1.761448 -2.091603 -0.016471
O 0.779070 2.310717 -2.681485
O -1.573501 -0.664182 1.336692
O -3.206884 0.526164 -0.768015
O 3.802808 -3.149907 0.544490
N 5.199494 1.073713 0.484355
N 2.284079 1.397956 -0.320581
N 2.808608 -3.365978 -1.569683
C 4.027314 0.104152 0.644243
C 2.692686 0.795266 0.985503
C 4.452701 0.570618 -0.739193
C 3.409419 1.567855 -1.270425
C 1.443800 -0.075144 1.414707
C 0.948369 1.197634 -0.541598
C 0.364790 0.437250 0.465662
C 1.575144 -1.609992 1.378557
C 0.184161 1.687351 -1.732251
C -1.026811 0.110483 0.462226
C 3.538297 1.622663 3.149390
C -1.256849 1.418234 -1.738540
C -1.842225 0.706057 -0.690776
C -2.048487 1.952891 -2.910400
C 2.878461 -2.902783 -0.275760
C -4.049846 -0.123957 0.284736
C -5.497263 0.073231 -0.167969
C -6.494190 -0.566106 0.827482
C -7.966891 -0.383922 0.393822
C -8.966139 -1.016311 1.386135
H 4.219270 -0.918477 0.978919
H 4.951186 -0.109918 -1.436120
H 6.095515 0.559336 0.603083
H 3.069878 1.348278 -2.294337
H 3.797909 2.600054 -1.235443
H 1.203101 0.183444 2.463769
H 2.414553 -1.975377 1.996796
H 0.625061 -2.050106 1.723956
H 3.477674 2.538045 3.757949
H 4.597659 1.385676 2.942115
H 3.065587 0.785694 3.706595
H -1.931251 3.049299 -2.989569
H -3.116015 1.708849 -2.813638
H -1.663964 1.535668 -3.859316
H -3.844692 0.352142 1.259536
H -3.770576 -1.188279 0.359030
H 2.002541 -3.145877 -2.150392
H 3.544220 -3.978525 -1.910052
H -5.629308 -0.374924 -1.171977
H -5.705739 1.156130 -0.266560
H -6.276207 -1.649357 0.931554
H -6.353291 -0.121799 1.834773
H -8.108141 -0.830350 -0.611500
H -8.183152 0.698408 0.286697
H -8.787996 -2.103348 1.489848
H -8.868009 -0.563553 2.390853
H -10.010645 -0.875474 1.052770


