%chk=000040210.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040210

0 1
 O    8.211300      0.4657000      0.2440000    
 O    1.800600     -0.3471000      0.2788000    
 O   -1.632600     -0.2142000     -0.6965000    
 O   -2.527000       2.461600      -1.172100    
 O   0.8150000     -0.1104000      -1.795200    
 O   -2.557600       2.935900       1.080300    
 N    5.484800     -0.3506000      0.2081000    
 C    5.876200       1.035000     -8.5400000E-02
 C    6.459500     -0.9670000       1.118900    
 C    4.139500     -0.4005000      0.7767000    
 C    7.286900       1.062400     -0.6665000    
 C    7.856900     -0.8919000      0.5102000    
 C    3.089800     -0.2766000     -0.3161000    
 C   -2.899100      -2.751000     -0.4781000    
 C   -3.551800      -1.484100     -3.2400001E-02
 C   -2.895500     -0.2596000     -0.1570000    
 C   -3.521600      0.9134000      0.2647000    
 C   -4.834200      -1.535600      0.5141000    
 C   -3.673300      -3.441400      -1.615900    
 C   -2.681400      -3.739200      0.6825000    
 C   -4.803900      0.8619000      0.8114000    
 C   -5.460200     -0.3626000      0.9361000    
 C  -0.5454000     -0.3409000      0.1981000    
 C   0.7396000     -0.2499000     -0.5819000    
 C   -5.499700       2.101300       1.272400    
 C   -2.831800       2.192300      0.1325000    
 C   -1.844800       3.693100      -1.431800    
 H    5.201000       1.495400     -0.8133000    
 H    5.851300       1.640300      0.8303000    
 H    6.453200     -0.4497000       2.087300    
 H    6.208100      -2.019500       1.293000    
 H    3.986000      0.3570000       1.556800    
 H    3.969800      -1.365800       1.273300    
 H    7.337400      0.5442000      -1.632000    
 H    7.602900       2.097700     -0.8297000    
 H    8.592000      -1.295600       1.213800    
 H    7.927300      -1.476700     -0.4150000    
 H    3.199500      -1.093400      -1.040200    
 H    3.175500      0.6792000     -0.8436000    
 H   -1.904900      -2.546100     -0.8907000    
 H   -5.365400      -2.477100      0.6219000    
 H   -3.816000      -2.757600      -2.460100    
 H   -3.121700      -4.314800      -1.980900    
 H   -4.661300      -3.785100      -1.291500    
 H   -2.116600      -4.613400      0.3408000    
 H   -2.114700      -3.269600       1.494100    
 H   -3.628500      -4.098500       1.099100    
 H   -6.458800     -0.4208000       1.361100    
 H  -0.5764000      -1.309600      0.7070000    
 H  -0.5636000      0.4739000      0.9301000    
 H   -6.553400       1.910200       1.504300    
 H   -5.483600       2.872000      0.4945000    
 H   -5.027700       2.489200       2.180700    
 H   -2.457100       4.539700      -1.107600    
 H  -0.8753000       3.699900     -0.9248000    
 H   -1.679200       3.769900      -2.509600    


%chk=000040210-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040210

0 1
O 8.461441 -0.119674 -0.220645
O 1.895421 -0.211804 0.505813
O -1.509481 0.070127 -0.568326
O -3.650590 3.292270 -0.380030
O 0.830564 -1.461661 -1.153024
O -1.893151 2.550145 0.942362
N 5.636560 -0.366057 0.421195
C 6.088596 0.208999 -0.874515
C 6.649660 -0.103556 1.477526
C 4.274991 0.072006 0.807822
C 7.454655 -0.380112 -1.262691
C 8.006159 -0.692542 1.057101
C 3.216066 -0.741085 0.054033
C -2.566138 -2.647869 -0.739109
C -3.395839 -1.459703 -0.247604
C -2.849869 -0.153153 -0.152229
C -3.636226 0.971102 0.229994
C -4.762025 -1.606663 0.097083
C -3.177915 -3.253590 -2.030758
C -2.419520 -3.733521 0.360753
C -5.013668 0.803777 0.557436
C -5.547448 -0.506950 0.495885
C -0.480468 -0.104761 0.466624
C 0.774414 -0.675637 -0.184887
C -5.903542 1.958580 0.985184
C -2.957111 2.303809 0.321609
C -3.041235 4.645097 -0.343631
H 5.354803 -0.031224 -1.665816
H 6.173828 1.323367 -0.811880
H 6.772750 0.992219 1.668198
H 6.319216 -0.580932 2.419289
H 4.104859 1.160716 0.627003
H 4.143266 -0.101044 1.891409
H 7.354599 -1.475287 -1.422667
H 7.846700 0.094850 -2.177082
H 8.792117 -0.444031 1.789259
H 7.917235 -1.796371 0.962385
H 3.283262 -1.814438 0.302218
H 3.281943 -0.629242 -1.042352
H -1.558752 -2.276928 -1.000244
H -5.221748 -2.600525 0.041398
H -3.253154 -2.492567 -2.827533
H -2.540980 -4.077610 -2.401532
H -4.190182 -3.662026 -1.849103
H -1.784255 -4.561632 -0.003706
H -1.956088 -3.323862 1.277667
H -3.401373 -4.158933 0.642653
H -6.600063 -0.660441 0.759750
H -0.822483 -0.817040 1.245955
H -0.272446 0.867309 0.944075
H -6.869933 1.581474 1.360557
H -6.097423 2.642835 0.140952
H -5.439500 2.563405 1.785565
H -2.958764 5.002502 0.696712
H -2.036534 4.618749 -0.797290
H -3.725201 5.274434 -0.929812


