%chk=000168372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168372

0 1
 O    1.580600     -0.1768000     -0.3551000    
 O   -2.137700      0.4241000      0.2249000    
 O    3.548500     -0.6509000      -1.463100    
 O   -2.887700      -1.535300       1.185900    
 N   0.9458000       3.380500     -0.3242000    
 C   0.3845000       1.990800     -0.4500000    
 C    1.559600       1.118200     -0.9164000    
 C    2.795100       1.908000     -0.5265000    
 C    2.347300       3.333300     -0.7679000    
 C  -0.2259000       1.687400      0.8880000    
 C   0.8242000       3.750100       1.105500    
 C   1.6899999E-02   2.678500       1.748200    
 C   -1.058100      0.4823000       1.145800    
 C    2.637600     -0.9622000     -0.7144000    
 C    2.468600      -2.273800     -4.4700000E-02
 C   -2.980000     -0.6436000      0.3591000    
 C    3.467200      -3.103100      0.3085000    
 C   -4.016700     -0.5354000     -0.6948000    
 C    3.147800      -4.411200      0.9862000    
 C    4.937600      -2.860700      0.1118000    
 C   -5.268900      -1.019600     -0.6091000    
 C   -6.221500     -0.8362000      -1.762800    
 C   -5.864900      -1.744500      0.5652000    
 H  -0.3996000       2.002800      -1.216500    
 H    1.509400       1.034600      -2.011700    
 H    3.675300       1.680700      -1.133200    
 H    3.060400       1.740100      0.5246000    
 H    2.990700       4.071700     -0.2776000    
 H    2.373900       3.552300      -1.842600    
 H   0.3095000       4.713100       1.183400    
 H    1.790300       3.834000       1.616600    
 H  -0.3310000       2.715300       2.770300    
 H   -1.463900      0.5168000       2.164700    
 H  -0.4518000     -0.4248000       1.060100    
 H    1.440500      -2.546700      0.1842000    
 H   -3.712100      4.6000001E-03  -1.588700    
 H    3.598100      -4.442200       1.983800    
 H    2.070400      -4.569600       1.103400    
 H    3.543100      -5.246900      0.3993000    
 H    5.480800      -3.068000       1.040500    
 H    5.327400      -3.522900     -0.6679000    
 H    5.177700      -1.831200     -0.1607000    
 H   -6.572800      -1.809600      -2.120900    
 H   -5.758200     -0.3196000      -2.610000    
 H   -7.089200     -0.2466000      -1.449100    
 H   -5.262800      -1.674200       1.473100    
 H   -6.001600      -2.803400      0.3240000    
 H   -6.844500      -1.320000      0.8117000    


%chk=000168372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168372

0 1
O 1.266346 0.245244 0.024752
O -1.937301 0.990899 0.780207
O 2.713032 -0.833747 -1.461400
O -1.671999 -1.233422 1.458098
N 1.167262 3.909464 -0.382746
C 0.455020 2.576748 -0.284551
C 1.546611 1.520457 -0.665406
C 2.881607 2.182809 -0.276796
C 2.606809 3.646944 -0.707630
C -0.108124 2.550569 1.142367
C 0.898385 4.690047 0.865559
C 0.123177 3.739101 1.757635
C -0.858324 1.395995 1.737118
C 1.896459 -0.909500 -0.504965
C 1.414545 -2.091384 0.232058
C -2.250940 -0.380645 0.729716
C 1.869001 -3.377592 0.085047
C -3.315145 -0.585673 -0.272584
C 1.251030 -4.483873 0.918724
C 2.970491 -3.807596 -0.860169
C -3.907921 -1.777388 -0.603704
C -4.992001 -1.806983 -1.664164
C -3.565781 -3.116791 0.013165
H -0.382681 2.503243 -1.004643
H 1.532772 1.326622 -1.754755
H 3.740103 1.720585 -0.789029
H 3.027492 2.113580 0.817229
H 3.257481 4.376940 -0.194232
H 2.775246 3.760283 -1.796788
H 0.301806 5.602699 0.652599
H 1.846134 5.033198 1.333721
H -0.236134 4.017918 2.753389
H -1.348218 1.681344 2.685543
H -0.211974 0.518901 1.904238
H 0.606411 -1.883672 0.942351
H -3.633777 0.332885 -0.777469
H 2.011473 -4.941337 1.582477
H 0.417608 -4.118646 1.541176
H 0.875075 -5.297770 0.267806
H 3.754512 -4.357682 -0.303278
H 2.566953 -4.516354 -1.611044
H 3.420596 -2.956356 -1.389776
H -4.710146 -2.491401 -2.488339
H -5.189262 -0.809934 -2.091748
H -5.937767 -2.199310 -1.241194
H -2.814098 -3.026551 0.809617
H -3.181324 -3.802544 -0.768265
H -4.480625 -3.590125 0.420982


