%chk=000018677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018677

0 1
 O   -3.759400       1.025200     -1.4300000E-02
 O   -3.495800      -1.209500      0.4287000    
 O    4.809800     -0.6366000      0.3438000    
 N   -1.088400       1.450600     -9.0200000E-02
 N   0.3340000      -2.894800     -0.2017000    
 C  -0.5192000     -0.6537000      0.3279000    
 C   0.6731000      0.1089000      0.1813000    
 C   0.2881000       1.425500     -8.0499999E-02
 C  -0.5956000      -2.102500      0.6142000    
 C   -1.585400      0.1988000      0.1556000    
 C    2.047400     -0.1955000      0.2462000    
 C    1.212200       2.457000     -0.2812000    
 C    2.983200      0.8261000      4.7600001E-02
 C    2.569800       2.131300     -0.2120000    
 C   -2.983800     -9.4599999E-02  0.2093000    
 C   3.9299998E-02  -2.715000      -1.620600    
 C   0.2538000      -4.305200      0.1676000    
 C    4.403900      0.5197000      0.1132000    
 C    5.437600       1.619600     -0.1006000    
 C   -5.181000      0.8548000      1.5900001E-02
 C   -5.843400       2.189900     -0.2501000    
 H  -0.3432000      -2.237500       1.674800    
 H   -1.605300      -2.501000      0.4877000    
 H   -1.648100       2.276100     -0.2553000    
 H    2.371000      -1.209600      0.4601000    
 H   0.8907000       3.473200     -0.4833000    
 H    3.277200       2.940500     -0.3695000    
 H   0.7003000      -3.347300      -2.225500    
 H   0.2212000      -1.692900      -1.966600    
 H  -0.9948000      -2.985000      -1.866700    
 H   0.9802000      -4.894100     -0.4038000    
 H  -0.7429000      -4.726400     -7.4999998E-03
 H   0.5053000      -4.442400       1.225300    
 H    5.333800       2.391400      0.6664000    
 H    5.339800       2.041500      -1.104200    
 H    6.440400       1.189500     -1.2300000E-02
 H   -5.476700      0.1334000     -0.7536000    
 H   -5.481200      0.4807000       1.000800    
 H   -6.932800       2.096200     -0.2342000    
 H   -5.540600       2.926500      0.5014000    
 H   -5.536300       2.585000      -1.224100    


%chk=000018677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018677

0 1
O -3.796775 1.110090 -0.016054
O -3.652978 -1.196110 0.382646
O 4.808992 -0.702802 0.270514
N -1.161747 1.483058 -0.038126
N 0.362791 -2.967735 -0.250727
C -0.554250 -0.712841 0.286302
C 0.641366 0.098586 0.159617
C 0.222713 1.467854 -0.042319
C -0.613094 -2.195306 0.565661
C -1.642783 0.169678 0.158101
C 2.022552 -0.205908 0.194881
C 1.155717 2.520703 -0.200303
C 2.965769 0.837592 0.041457
C 2.518377 2.189454 -0.155165
C -3.083274 -0.091140 0.196035
C 0.052062 -2.925911 -1.694745
C 0.504993 -4.351693 0.244872
C 4.425231 0.490870 0.084067
C 5.455120 1.605030 -0.104559
C -5.285243 0.990271 -0.004801
C -5.845274 2.387517 -0.249941
H -0.348351 -2.365179 1.629710
H -1.660524 -2.554482 0.434129
H -1.782113 2.282331 -0.156991
H 2.364536 -1.237216 0.319552
H 0.831658 3.555445 -0.352342
H 3.256091 2.989228 -0.275833
H 0.846577 -3.448868 -2.256024
H 0.022449 -1.878514 -2.041318
H -0.928922 -3.403170 -1.946571
H 1.284836 -4.873489 -0.337560
H -0.439175 -4.949230 0.171254
H 0.821692 -4.339481 1.303376
H 5.354012 2.379939 0.678310
H 5.330203 2.102411 -1.084543
H 6.463677 1.168155 -0.048783
H -5.580237 0.271697 -0.790556
H -5.592183 0.576077 0.972508
H -6.949810 2.350981 -0.251933
H -5.524944 3.087302 0.541132
H -5.511540 2.782606 -1.224931


