%chk=000098119.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098119

0 1
 O    1.290000       3.720400      1.6700000E-02
 O   0.4941000       2.917100      -1.950000    
 O   -2.131000      -2.451400      -2.291200    
 O  -0.1650000      -1.476100      -2.340400    
 O   -5.068600      0.5561000       2.260900    
 O   -5.482900      -1.068300      0.8435000    
 N   0.4576000      0.3780000     -0.8034000    
 N   -1.317100      -1.600000      -1.862700    
 N   -4.716900     -0.1966000       1.320600    
 C    1.402000       1.360300     -0.3092000    
 C    2.820900      0.9965000     -0.7610000    
 C    3.450700     -7.6600000E-02  9.4200000E-02
 C  -0.8183000      0.2222000     -0.2944000    
 C    1.006400       2.718100     -0.8563000    
 C   -1.714900     -0.7443000     -0.7977000    
 C   -1.260800       1.043600      0.7627000    
 C    4.184300      0.2890000       1.211600    
 C    3.283400      -1.407600     -0.2536000    
 C   -2.997400     -0.8821000     -0.2666000    
 C   -3.411400     -5.6899998E-02  0.7792000    
 C   -2.543100      0.9059000       1.293800    
 C    4.766200     -0.7023000       2.001800    
 C    3.865100      -2.398900      0.5367000    
 C    4.606500      -2.046100       1.664500    
 H    1.387700       1.397200      0.7870000    
 H    3.463800       1.887100     -0.7265000    
 H    2.833200      0.6848000      -1.814600    
 H   0.7124000     -0.1221000      -1.644600    
 H  -0.6366000       1.813500       1.205300    
 H    4.311900       1.332700       1.484100    
 H    2.710300      -1.693600      -1.130700    
 H   -3.677600      -1.631500     -0.6644000    
 H   -2.832600       1.566100       2.107400    
 H    5.342700     -0.4277000       2.880300    
 H    3.741100      -3.445300      0.2739000    
 H    5.059300      -2.818100       2.279900    
 H    1.034100       4.598000     -0.3393000    


%chk=000098119-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098119

0 1
O 1.422728 3.918326 -0.154620
O 0.374240 2.972623 -2.008681
O -1.898244 -2.861790 -1.778302
O 0.107358 -1.802003 -1.942204
O -5.249832 0.736252 2.105592
O -5.490921 -1.199923 0.914741
N 0.520249 0.421360 -0.621476
N -1.114960 -1.888994 -1.468975
N -4.805331 -0.174327 1.299264
C 1.417837 1.516858 -0.269638
C 2.875172 1.176278 -0.729550
C 3.448986 -0.022434 0.012844
C -0.762664 0.279030 -0.171543
C 0.984408 2.837707 -0.932684
C -1.594004 -0.844352 -0.560194
C -1.353807 1.236766 0.724951
C 3.965766 0.134093 1.324996
C 3.457648 -1.311996 -0.576045
C -2.912242 -0.987774 -0.080454
C -3.430546 -0.025795 0.794118
C -2.653310 1.092728 1.201254
C 4.477192 -0.974033 2.035051
C 3.968297 -2.423377 0.132596
C 4.477793 -2.257950 1.440510
H 1.432901 1.678302 0.824553
H 3.491738 2.074183 -0.546533
H 2.862874 0.996891 -1.821224
H 0.836077 -0.322476 -1.266875
H -0.769262 2.104654 1.040868
H 3.979826 1.129246 1.788554
H 3.072697 -1.453511 -1.593983
H -3.515132 -1.844422 -0.392355
H -3.095612 1.824236 1.882668
H 4.878857 -0.837551 3.045241
H 3.966685 -3.413400 -0.335909
H 4.874842 -3.118665 1.989642
H 1.201197 4.776341 -0.608695


