%chk=000045011.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045011

0 1
 O  -0.8447000      -3.345100       1.616800    
 O   -4.054500       1.689100     -0.2780000    
 O   -1.748200      0.9462000      -2.055200    
 O    2.140800       2.451500       1.453800    
 O    3.182900      -1.291500      -1.346200    
 O    3.999600      0.6748000      0.4251000    
 N   -2.255000     -0.5179000     -0.3047000    
 C   -1.789300      -1.274800      0.8553000    
 C   -3.669900     -0.6547000     -0.6204000    
 C   -1.392200      0.2906000      -1.067000    
 C   6.0999999E-03  0.3892000     -0.6790000    
 C   -1.319000      -2.663500      0.4628000    
 C   -4.504400      0.3927000      9.3800001E-02
 C   0.9395000     -0.5069000      -1.200000    
 C   0.4140000       1.381400      0.2123000    
 C    1.755500       1.477700      0.5826000    
 C    2.280900     -0.4106000     -0.8298000    
 C    2.688800      0.5817000      6.1500002E-02
 C  -0.3868000      -4.652200       1.298800    
 C   -4.803900       2.707100      0.3711000    
 C    1.124300       3.326000       1.939500    
 C    3.400100      -2.498200     -0.6178000    
 C    4.835500       1.507500     -0.3753000    
 H  -0.9817000     -0.7451000       1.369600    
 H   -2.598500      -1.342700       1.592800    
 H   -3.783100     -0.5194000      -1.702400    
 H   -4.009500      -1.665900     -0.3735000    
 H  -0.5217000      -2.619700     -0.2834000    
 H   -2.150500      -3.229900      2.6200000E-02
 H   -4.415100      0.2751000       1.180100    
 H   -5.557400      0.2747000     -0.1864000    
 H   0.6291000      -1.274600      -1.905000    
 H  -0.3579000       2.048200      0.5828000    
 H  -3.9000001E-02  -5.128400       2.219500    
 H   0.4487000      -4.605300      0.5936000    
 H   -1.200300      -5.253200      0.8809000    
 H   -4.418200       3.677400      4.7200002E-02
 H   -4.692100       2.632300       1.457100    
 H   -5.860700       2.641200      9.4800003E-02
 H    1.607800       4.035500       2.619100    
 H   0.3735000       2.786000       2.526600    
 H   0.6781000       3.915100       1.130900    
 H    4.147200      -3.091400      -1.152000    
 H    2.473900      -3.078000     -0.5522000    
 H    3.778500      -2.280100      0.3858000    
 H    5.846300       1.478900      4.0600002E-02
 H    4.479400       2.542400     -0.3573000    
 H    4.871200       1.140800      -1.405900    


%chk=000045011-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045011

0 1
O -1.702170 -3.298123 2.025311
O -3.857321 1.816829 -0.169397
O -1.529547 -0.110993 -2.656052
O 2.127356 2.067392 1.472549
O 3.570695 -1.093571 -1.952105
O 4.192935 0.742158 0.152098
N -2.229090 -0.580432 -0.474844
C -1.931923 -1.234152 0.815999
C -3.645235 -0.495124 -0.886033
C -1.248167 -0.265661 -1.425393
C 0.163900 -0.059528 -0.933597
C -1.814280 -2.763942 0.667718
C -4.460520 0.491965 -0.038579
C 1.226510 -0.710812 -1.589754
C 0.428552 0.870269 0.104050
C 1.762742 1.152617 0.468983
C 2.563873 -0.448225 -1.213049
C 2.849910 0.503963 -0.194333
C -1.479137 -4.742423 2.040339
C -4.631960 2.846790 0.518261
C 1.044074 2.731532 2.202666
C 4.586772 -1.850677 -1.188001
C 4.679324 2.127546 -0.041290
H -0.994737 -0.850182 1.244134
H -2.739824 -1.012275 1.535578
H -3.648379 -0.175000 -1.941223
H -4.133084 -1.490323 -0.830212
H -0.914461 -3.022515 0.066638
H -2.708921 -3.186406 0.156916
H -4.494021 0.191240 1.034310
H -5.507844 0.497635 -0.418685
H 1.037350 -1.400509 -2.416685
H -0.409166 1.390338 0.578225
H -1.409356 -5.034639 3.099876
H -0.535444 -5.011972 1.520333
H -2.319257 -5.289619 1.561400
H -4.098080 3.795790 0.353242
H -4.703584 2.647802 1.610013
H -5.660305 2.928742 0.105012
H 1.547940 3.372744 2.940787
H 0.403454 1.993966 2.723484
H 0.422914 3.351979 1.528205
H 5.281323 -2.240773 -1.947596
H 4.107317 -2.692070 -0.650359
H 5.111738 -1.193874 -0.475617
H 5.748196 2.094066 0.219645
H 4.140483 2.821820 0.624569
H 4.556553 2.430639 -1.098038


