%chk=000053758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053758

0 1
 O   -1.432900      -1.759200      -1.594100    
 O    2.049600     -0.6904000     -0.4743000    
 N   -3.172400     -0.1929000     -0.1833000    
 N  -0.2174000      -2.279900      0.3101000    
 C   -4.405000      0.2331000      0.5067000    
 C   -5.147200       1.273100     -0.3545000    
 C   -4.262300       2.456800     -0.7333000    
 C   -2.270600      0.9188000     -0.5050000    
 C   -2.968000       1.968000      -1.371000    
 C   -2.462100      -1.259200      0.5173000    
 C   -4.208400      0.7468000       1.941500    
 C   -1.339500      -1.781600     -0.3637000    
 C   0.9415000      -2.817200     -0.3926000    
 C  -0.1235000      -2.298700       1.768100    
 C    2.203500      -2.042000     -6.1099999E-02
 C    3.109700      0.1487000     -0.2500000    
 C    2.960800       1.274400      0.5532000    
 C    4.336000     -0.1435000     -0.8380000    
 C    4.050400       2.117600      0.7709000    
 C    1.649200       1.597700       1.189100    
 C    5.425700      0.6996000     -0.6201000    
 C    5.282900       1.830100      0.1843000    
 H   -5.068500     -0.6399000      0.5711000    
 H   -5.499600      0.7876000      -1.274600    
 H   -6.041900       1.633600      0.1669000    
 H   -4.795800       3.113400      -1.429600    
 H   -4.034100       3.055500      0.1560000    
 H   -1.892400       1.392800      0.4095000    
 H   -1.387000      0.5999000      -1.066400    
 H   -2.295700       2.817500      -1.537100    
 H   -3.188100       1.538800      -2.357000    
 H   -2.074400     -0.8659000       1.459200    
 H   -3.127800      -2.103900      0.7275000    
 H   -3.518200       1.593700       1.995000    
 H   -5.165600       1.076900       2.360800    
 H   -3.830300     -4.1200001E-02   2.600400    
 H    1.049300      -3.870600     -0.1112000    
 H   0.7586000      -2.776900      -1.471600    
 H   0.1810000      -1.307900       2.115500    
 H   0.6054000      -3.046400       2.095700    
 H   -1.083100      -2.569300       2.216400    
 H    2.432500      -2.074000       1.010300    
 H    3.035700      -2.512800     -0.5966000    
 H    4.462700      -1.007900      -1.483100    
 H    3.955900       3.001600       1.395800    
 H    1.645300       2.601700       1.626700    
 H   0.8430000       1.566500      0.4488000    
 H    1.431100      0.8816000       1.987400    
 H    6.384300      0.4785000      -1.080400    
 H    6.131200       2.487000      0.3531000    


%chk=000053758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053758

0 1
O -1.143360 -1.123870 -1.640371
O 2.204977 -0.726779 -0.339876
N -3.111790 0.041785 0.034119
N -0.180127 -2.333609 0.101227
C -4.396955 0.161937 0.783441
C -5.397417 0.987874 -0.066566
C -4.820050 2.361906 -0.480215
C -2.494682 1.334175 -0.348716
C -3.468151 2.169626 -1.203741
C -2.177825 -0.927035 0.604259
C -4.256462 0.725696 2.230718
C -1.141525 -1.456193 -0.418605
C 0.939249 -2.737984 -0.768077
C -0.119718 -2.747216 1.511803
C 2.298134 -2.188794 -0.310112
C 3.340118 0.021536 0.028587
C 3.165554 1.436263 -0.031542
C 4.570197 -0.553364 0.427235
C 4.265583 2.247620 0.324676
C 1.837872 2.019763 -0.469587
C 5.651320 0.288934 0.778596
C 5.503686 1.690407 0.729401
H -4.804335 -0.867457 0.868975
H -5.627610 0.408853 -0.981589
H -6.341624 1.113647 0.498607
H -5.538639 2.889402 -1.136308
H -4.678278 3.003498 0.413291
H -2.180203 1.927759 0.550594
H -1.589686 1.110811 -0.937682
H -3.005616 3.148255 -1.437254
H -3.632064 1.637046 -2.159758
H -1.606570 -0.531011 1.486481
H -2.765318 -1.789705 0.980938
H -3.886104 1.765934 2.236104
H -5.237851 0.713456 2.740213
H -3.558600 0.114201 2.832826
H 1.009180 -3.844606 -0.807297
H 0.705881 -2.361204 -1.777801
H 0.447906 -2.032120 2.141244
H 0.374587 -3.733673 1.577186
H -1.128817 -2.858395 1.938842
H 2.557306 -2.530045 0.714671
H 3.087727 -2.542263 -1.005832
H 4.700276 -1.639259 0.463495
H 4.148106 3.337137 0.281506
H 1.880722 3.121978 -0.497043
H 1.549914 1.649740 -1.470435
H 1.021450 1.716703 0.212847
H 6.603966 -0.156544 1.086443
H 6.339167 2.345185 0.998784


