%chk=000061063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061063

1 1
 O    2.093100      0.8032000       1.234300    
 O    2.639200       2.752800     -0.4400000    
 O    4.092300      -1.242000      0.7517000    
 N   -3.241500     -0.2929000      0.2420000    
 C  -0.2675000      0.6748000      0.6609000    
 C   -1.181200      0.9155000     -0.5268000    
 C   -1.952100     -0.4477000     -0.4836000    
 C   -1.239400      0.4977000       1.911900    
 C   0.9256000       1.623800      0.8799000    
 C   0.5555000     -0.5597000      0.2407000    
 C   -2.826500      0.5141000       1.590700    
 C   -1.282700      -1.591700      -1.239200    
 C   0.1552000      -1.608400     -0.6389000    
 C  -0.4301000       1.314700      -1.768000    
 C    1.235200       2.524200     -0.3505000    
 C    1.859600     -0.4092000      0.6443000    
 C   -3.875800      -1.634200      0.5668000    
 C   -4.269800      0.5283000     -0.5431000    
 C   0.6922000       2.046300      -1.674500    
 C    1.103100      -2.576700     -0.9572000    
 C    2.803700      -1.369300      0.3450000    
 C    2.412300      -2.463700     -0.4462000    
 H   -1.835800       1.771500     -0.3296000    
 H   -1.628200     -0.9862000      0.4097000    
 H   -1.067900       1.307800       2.630700    
 H   -1.002900     -0.4358000       2.439100    
 H   0.7586000       2.282600       1.740400    
 H   -3.394500      6.8800002E-02   2.413700    
 H   -3.159200       1.548300       1.449400    
 H   -1.239300      -1.398900      -2.315000    
 H   -1.766000      -2.559100      -1.065600    
 H  -0.8322000       1.054900      -2.741500    
 H   0.7764000       3.505400     -0.1744000    
 H   -4.088800      -2.154400     -0.3715000    
 H   -3.187900      -2.216300       1.187500    
 H   -4.802200      -1.450900       1.119300    
 H   -5.168200      0.6253000      7.3299997E-02
 H   -3.864600       1.516000     -0.7693000    
 H   -4.490500     -9.6000005E-03  -1.469700    
 H    1.190000       2.369400      -2.584100    
 H   0.8496000      -3.407300      -1.609000    
 H    3.139200      -3.228900     -0.7113000    
 H    3.070700       1.893800     -0.5870000    
 H    4.600200      -2.007100      0.4312000    


%chk=000061063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061063

1 1
O 2.145463 0.769315 1.192406
O 2.577008 2.969340 -0.320366
O 4.176613 -1.169216 0.587365
N -3.294560 -0.258383 0.246513
C -0.256192 0.633988 0.713561
C -1.165574 0.838208 -0.523103
C -1.902017 -0.547286 -0.349093
C -1.304679 0.504634 1.923422
C 0.914296 1.625005 0.946563
C 0.529263 -0.648568 0.257468
C -2.836754 0.616542 1.527644
C -1.334097 -1.644237 -1.261544
C 0.120540 -1.659376 -0.676072
C -0.356473 1.151880 -1.765221
C 1.186156 2.539931 -0.298441
C 1.877506 -0.476547 0.582929
C -3.949857 -1.550389 0.713986
C -4.266995 0.500710 -0.639111
C 0.746745 1.934410 -1.630856
C 1.102419 -2.589980 -1.081305
C 2.864284 -1.411805 0.193594
C 2.440047 -2.491504 -0.622830
H -1.866038 1.680655 -0.366790
H -1.522710 -0.985395 0.583561
H -1.150259 1.343677 2.629952
H -1.121785 -0.416034 2.506630
H 0.825054 2.241025 1.854091
H -3.469851 0.278694 2.365569
H -3.109205 1.655625 1.286488
H -1.332369 -1.407763 -2.338880
H -1.820880 -2.627345 -1.120660
H -0.678846 0.787096 -2.747347
H 0.606856 3.473972 -0.142627
H -4.164368 -2.184015 -0.160086
H -3.266106 -2.079342 1.395975
H -4.887763 -1.311825 1.238816
H -5.149497 0.789832 -0.046982
H -3.781019 1.398842 -1.044618
H -4.575153 -0.154295 -1.469167
H 1.350593 2.234326 -2.495123
H 0.840506 -3.392783 -1.778583
H 3.175819 -3.233738 -0.955772
H 3.140194 2.217639 0.011211
H 4.800584 -1.856319 0.243330


