%chk=000147260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147260

0 1
 O    4.657100      0.5560000       1.778800    
 O    2.056700      -2.868800      0.1504000    
 O    1.459300       3.622900     -0.5946000    
 O  -4.4900000E-02  -1.289100      0.8934000    
 O   -2.029000      0.4444000      0.2693000    
 O    2.575200      -4.218800      -1.640900    
 O   -4.740100      0.9703000      0.6961000    
 N    4.951000      9.4099998E-02  -1.946000    
 N    3.431300       1.574800      1.9800000E-02
 N    1.087100      -4.904300     -2.7600000E-02
 C    5.175000      8.9000002E-02 -0.5028000    
 C    4.080700      0.3317000      0.4910000    
 C    5.328100       1.342800      -1.306900    
 C    4.256300       2.322600     -0.9210000    
 C    2.902500     -0.6849000      0.6216000    
 C    2.063800       1.437500      3.7400000E-02
 C    1.697700      0.2061000      0.3936000    
 C    2.932800      -1.869500     -0.3384000    
 C    1.097800       2.490500     -0.2929000    
 C   0.2897000     -0.1718000      0.5155000    
 C    5.157700     -0.6490000       2.335300    
 C  -0.3547000       2.109900     -0.2283000    
 C  -0.7202000      0.8693000      0.1594000    
 C   -1.295600       3.215000     -0.6260000    
 C    1.962000      -4.013500     -0.5988000    
 C   -2.528500      0.6909000       1.568900    
 C   -3.972400      0.2325000       1.639300    
 C   -5.816800      0.3303000      0.1411000    
 C   -6.499200     -0.6453000      0.8680000    
 C   -6.230500      0.6539000      -1.151200    
 C   -7.595000      -1.297500      0.3026000    
 C   -7.326400      1.8000000E-03  -1.716500    
 C   -8.008600     -0.9739000     -0.9895000    
 H    6.061800     -0.4225000     -0.1643000    
 H    6.303200       1.748400      -1.520100    
 H    3.954700      8.9500003E-02  -2.158900    
 H    3.695600       2.651300      -1.802100    
 H    4.691400       3.194300     -0.4227000    
 H    2.799700      -1.061300       1.646400    
 H    3.940700      -2.297600     -0.3747000    
 H    2.626600      -1.577400      -1.349800    
 H    6.092600     -0.4138000       2.852900    
 H    5.360700      -1.447000       1.615000    
 H    4.457600      -1.015800       3.092400    
 H   -1.206300       4.060200      6.4199999E-02
 H   -2.339900       2.887200     -0.6172000    
 H   -1.072000       3.563100      -1.639900    
 H   -2.485000       1.765500       1.787200    
 H   -1.940800      0.1513000       2.321500    
 H   0.6025000      -4.687900      0.8369000    
 H   0.8980000      -5.805700     -0.4527000    
 H   -3.984200     -0.8412000       1.410800    
 H   -4.371600      0.4026000       2.645000    
 H   -6.228200     -0.9062000       1.886800    
 H   -5.702400       1.412700      -1.722100    
 H   -8.130700      -2.052500      0.8707000    
 H   -7.648700      0.2538000      -2.722500    
 H   -8.862700      -1.480500      -1.429100    


%chk=000147260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147260

0 1
O 4.365294 1.476324 1.676512
O 2.842721 -2.984008 1.143668
O 1.453522 2.800204 -2.187436
O 0.089737 -1.422436 1.114537
O -1.926606 -0.092216 -0.501159
O 1.601004 -3.640827 -0.760836
O -4.576059 0.031354 0.777145
N 5.433140 -0.149192 -1.653222
N 3.418017 1.461953 -0.481709
N 1.272680 -4.608670 1.352862
C 5.448410 0.300808 -0.204847
C 4.115660 0.601798 0.502580
C 5.599581 1.322409 -1.327977
C 4.341884 2.208067 -1.358408
C 3.071912 -0.532875 0.843792
C 2.095137 1.109218 -0.591011
C 1.793142 0.004992 0.198250
C 3.514284 -1.936669 0.354175
C 1.088303 1.827623 -1.437287
C 0.439172 -0.455967 0.343645
C 5.140736 0.866893 2.765240
C -0.292502 1.348666 -1.344495
C -0.599785 0.283369 -0.500423
C -1.355927 2.031107 -2.171865
C 1.855064 -3.738467 0.464562
C -2.512862 -1.147069 0.369740
C -4.004555 -1.132066 0.088119
C -5.950753 0.277729 0.612425
C -6.826270 -0.540472 -0.144791
C -6.440951 1.431330 1.274250
C -8.194714 -0.191036 -0.232260
C -7.805956 1.763946 1.177305
C -8.693030 0.955424 0.423337
H 6.293785 -0.063363 0.381886
H 6.560885 1.761099 -1.603301
H 4.473194 -0.362543 -1.992955
H 3.895702 2.340112 -2.357470
H 4.564242 3.207043 -0.940160
H 2.961872 -0.593842 1.941811
H 4.592559 -2.083675 0.536607
H 3.289585 -2.098623 -0.715410
H 5.063414 1.575734 3.604001
H 6.207653 0.740603 2.496214
H 4.723966 -0.111045 3.079933
H -0.921138 2.895406 -2.697945
H -2.194409 2.368894 -1.536775
H -1.786112 1.338512 -2.919086
H -2.297978 -0.928444 1.427547
H -2.065821 -2.121993 0.110395
H 1.484405 -4.541191 2.345096
H 0.524393 -5.210563 1.022829
H -4.189806 -1.068492 -1.002775
H -4.459397 -2.065988 0.480821
H -6.464909 -1.434586 -0.661700
H -5.740167 2.044321 1.849427
H -8.870381 -0.823727 -0.819100
H -8.179026 2.657542 1.690083
H -9.753442 1.217964 0.349408


