%chk=000100082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100082

0 1
 O  -0.1151000      0.4314000      -1.629800    
 O   -1.364100      -1.746800       1.440100    
 O    2.244300      0.7322000       1.615800    
 O    3.813500      -1.067200      -1.080300    
 O    5.752200      -1.598800     -2.8500000E-02
 N   -2.287000     -0.7196000     -0.4302000    
 N   0.1216000       1.812700      0.2218000    
 N    3.670200       1.354500     -0.1108000    
 N   -1.619100      -4.188600      0.1925000    
 C   -2.960800       1.641800     -0.6932000    
 C   -4.417300       1.486700     -0.2104000    
 C   -1.970700      0.6415000     -8.2999997E-02
 C   -5.030300      0.1493000     -0.6275000    
 C   -4.473700       1.627000       1.313300    
 C  -0.5597000      0.9186000     -0.5925000    
 C   -1.955600      -1.810600      0.3653000    
 C    1.458400       2.282800     -6.1999999E-02
 C   -2.463400      -3.108700     -0.2254000    
 C    2.468600       1.357700      0.5825000    
 C    4.827000      0.5974000      0.3107000    
 C    4.861000     -0.7934000     -0.2685000    
 H   -2.941300       1.559000      -1.788600    
 H   -2.623300       2.662100     -0.4669000    
 H   -5.005400       2.294800     -0.6628000    
 H   -1.957500      0.7216000       1.009400    
 H   -4.818200     -8.1600003E-02  -1.676200    
 H   -6.121000      0.2062000     -0.5278000    
 H   -4.716900     -0.6860000      3.7000000E-03
 H   -4.021900      0.7756000       1.831800    
 H   -3.970300       2.541700       1.643800    
 H   -5.516600       1.687400       1.644500    
 H   -2.677400     -0.8916000      -1.352200    
 H  -0.3294000       2.165100       1.061000    
 H    1.602200       2.330700      -1.145800    
 H    1.568900       3.283500      0.3655000    
 H   -2.467200      -3.050900      -1.318600    
 H   -3.493300      -3.261500      0.1132000    
 H    3.756500       1.905100     -0.9600000    
 H   -1.662300      -4.296700       1.205200    
 H   -1.961300      -5.065700     -0.1978000    
 H    5.712400       1.140600     -3.0900000E-02
 H    4.827200      0.5203000       1.402000    
 H    3.858700      -1.977000      -1.444300    


%chk=000100082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100082

0 1
O 0.082310 1.348028 -1.693265
O -2.052229 -1.627137 1.366192
O 3.475330 1.954635 1.427749
O 1.543211 -1.443005 0.042112
O 3.467419 -2.717378 -0.203048
N -1.630828 -0.552067 -0.664872
N 0.223207 2.243095 0.446964
N 2.780431 0.892565 -0.543990
N -0.027673 -3.420457 0.404931
C -2.924663 1.640678 -0.733422
C -4.338316 1.325404 -0.164213
C -1.739712 0.825568 -0.140802
C -4.845367 -0.097791 -0.501721
C -4.425727 1.588898 1.359169
C -0.403563 1.498965 -0.519192
C -1.669044 -1.652723 0.151391
C 1.539086 2.872193 0.205160
C -1.168988 -2.972010 -0.460329
C 2.701490 1.869589 0.426243
C 3.637681 -0.280767 -0.391127
C 2.876318 -1.602799 -0.174156
H -2.918745 1.508917 -1.833089
H -2.712491 2.713237 -0.544360
H -5.016388 2.047066 -0.668377
H -1.843157 0.739444 0.955491
H -4.729469 -0.325022 -1.577849
H -5.917745 -0.190651 -0.247718
H -4.300298 -0.863110 0.077273
H -3.842097 0.841784 1.929160
H -4.056082 2.599262 1.619601
H -5.472983 1.514438 1.704709
H -1.171482 -0.612423 -1.581066
H -0.128055 2.210492 1.406214
H 1.547213 3.249668 -0.832058
H 1.675452 3.709195 0.906344
H -0.797655 -2.845461 -1.491393
H -2.001144 -3.702257 -0.465274
H 2.038323 0.877128 -1.257791
H -0.332318 -3.448882 1.391451
H 0.362217 -4.328841 0.118071
H 4.297240 -0.418891 -1.267315
H 4.288695 -0.109297 0.485746
H 0.973194 -2.376682 0.240555


