%chk=000036641.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036641

0 1
 O    1.105300      0.9690000     -4.7499999E-02
 O   0.9209000      -3.041000       1.216800    
 N    1.079400      -2.218900      -1.266100    
 N   0.5317000      -1.714200       1.012000    
 C   0.2322000      2.1000000E-02 -0.6588000    
 C   -1.190900      0.3022000     -0.3125000    
 C    2.461700      0.7071000     -0.3731000    
 C    3.340000       1.747100      0.3053000    
 C   0.6503000      -1.400800     -0.2457000    
 C   -2.201500      1.8500000E-02  -1.231200    
 C   -1.511300      0.8491000      0.9300000    
 C    4.810000       1.538300     -1.1200000E-02
 C   -3.532500      0.2818000     -0.9073000    
 C   -2.842300       1.112200       1.253900    
 C   -3.852900      0.8285000      0.3354000    
 H   0.3502000      0.1330000      -1.745200    
 H    2.597200      0.7549000      -1.460200    
 H    2.778800     -0.2786000     -1.7800000E-02
 H    3.031100       2.751200     -9.6000005E-03
 H    3.183500       1.710100       1.390100    
 H   -1.965900     -0.4097000      -2.201900    
 H  -0.7435000       1.070900       1.666100    
 H    4.993400       1.609000      -1.088100    
 H    5.417200       2.300400      0.4872000    
 H    5.150100      0.5559000      0.3319000    
 H   -4.319500      6.0400002E-02  -1.622100    
 H   -3.092200       1.536100       2.222100    
 H   -4.889300       1.032800      0.5878000    
 H    1.132200      -1.899900      -2.227600    
 H    1.360000      -3.176000      -1.081700    
 H   0.7853000      -3.138400       2.174500    


%chk=000036641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036641

0 1
O 1.122189 0.808846 0.198252
O 1.158284 -3.707485 -0.915997
N 0.661205 -1.934583 0.914003
N 0.940460 -2.320433 -1.443270
C 0.373828 -0.072204 -0.708639
C -1.119070 0.242517 -0.555652
C 2.576211 0.802473 -0.056105
C 3.220531 1.790222 0.920794
C 0.685423 -1.537396 -0.400745
C -2.066520 -0.539509 -1.262897
C -1.565255 1.313757 0.253568
C 4.749538 1.879294 0.719961
C -3.444801 -0.252388 -1.161630
C -2.947406 1.596979 0.356435
C -3.891146 0.817666 -0.350094
H 0.684087 0.103249 -1.760990
H 2.767620 1.104186 -1.109184
H 2.981309 -0.221623 0.089071
H 2.757071 2.784727 0.778993
H 2.989388 1.472351 1.955249
H -1.719803 -1.374792 -1.883200
H -0.825887 1.915127 0.789053
H 5.000701 2.221959 -0.301394
H 5.199056 2.592422 1.433539
H 5.234030 0.896938 0.874731
H -4.169337 -0.862325 -1.713034
H -3.285068 2.428533 0.985779
H -4.961330 1.040284 -0.270998
H 0.498118 -1.247880 1.646000
H 0.824910 -2.915379 1.129670
H 1.340364 -4.213532 -1.745770


