%chk=000122627.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122627

0 1
 O   -1.656300     -0.1209000      -2.008300    
 O    1.817100     -0.1971000     -0.8798000    
 O   -5.006700       1.859600     -0.3738000    
 O    2.684500      -2.320600     -0.5648000    
 O   -5.965600      -2.092500       1.795700    
 N   -3.564700      4.8300002E-02 -0.6863000    
 N  -0.8305000      0.6777000      0.8331000    
 N   -5.482200     -0.1092000      0.7063000    
 N  -0.5809000       1.354800       1.845300    
 N    6.297300     -0.5166000      0.5453000    
 N  -0.3541000       1.968400       2.779800    
 C  -0.6764000       1.371400     -0.4506000    
 C  -0.3844000      0.4018000      -1.587200    
 C   -2.009000       1.948100     -0.8801000    
 C   -2.689700      0.7723000      -1.568400    
 C   0.5642000     -0.7384000      -1.265400    
 C   -4.700600      0.6885000     -0.1402000    
 C   -3.290400      -1.277100     -0.3744000    
 C   -4.044800      -2.024500      0.4341000    
 C    2.782000      -1.103800     -0.5575000    
 C   -5.250600      -1.432600       1.047700    
 C    4.006400     -0.3907000     -0.1835000    
 C    4.027300       1.117000     -0.2124000    
 C    5.088800      -1.102200      0.1729000    
 C    5.373700       1.683600      0.1762000    
 C    6.389600      0.8721000      0.5150000    
 C    7.456000      -1.337400      0.8813000    
 H   0.1056000       2.137900     -0.3820000    
 H   1.8200001E-02  0.9727000      -2.434800    
 H   -2.571300       2.404800     -6.1400000E-02
 H   -1.823700       2.730600      -1.627500    
 H   -3.276400       1.106600      -2.431600    
 H   0.6889000      -1.368900      -2.154700    
 H   0.1603000      -1.377600     -0.4709000    
 H   -2.417500      -1.751800     -0.8044000    
 H   -6.304400      0.3297000       1.111300    
 H   -3.801600      -3.056500      0.6556000    
 H    3.275300       1.514100      0.4796000    
 H    3.787400       1.473600      -1.221100    
 H    5.107500      -2.186100      0.1981000    
 H    5.508300       2.760100      0.1740000    
 H    7.361100       1.266500      0.7903000    
 H    7.153800      -2.273200       1.364800    
 H    8.126600     -0.8174000       1.574800    
 H    8.018700      -1.582100     -2.5699999E-02


%chk=000122627-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122627

0 1
O -1.595477 -0.194353 -1.824637
O 1.926292 -0.111280 -0.714462
O -5.239863 1.660926 -1.176247
O 2.799375 -2.273032 -0.494185
O -6.661781 -1.914390 1.501415
N -3.697096 -0.030356 -0.659003
N -0.891504 0.635181 1.043642
N -5.910903 -0.153989 0.157518
N -1.097340 1.292298 2.105214
N 6.606106 -0.553695 0.295406
N -1.291030 1.733475 3.190549
C -0.720181 1.398882 -0.241474
C -0.310356 0.400119 -1.343802
C -2.068539 1.935848 -0.790427
C -2.695806 0.707747 -1.503019
C 0.612259 -0.748266 -0.949984
C -4.980423 0.565988 -0.596766
C -3.408308 -1.228709 -0.012584
C -4.347959 -1.906601 0.725640
C 2.993596 -1.025386 -0.471977
C -5.708102 -1.391048 0.859403
C 4.240177 -0.309340 -0.216284
C 4.294807 1.219573 -0.216964
C 5.358657 -1.083217 0.031991
C 5.708549 1.701166 0.079851
C 6.751792 0.859953 0.312022
C 7.778000 -1.403880 0.557574
H 0.037605 2.193613 -0.119360
H 0.145275 0.967720 -2.178749
H -2.730739 2.355649 -0.018244
H -1.871212 2.725829 -1.536701
H -3.226925 0.998523 -2.423896
H 0.687701 -1.489785 -1.764013
H 0.269611 -1.251460 -0.030383
H -2.389492 -1.591186 -0.153339
H -6.848678 0.256077 0.217465
H -4.103943 -2.845815 1.221912
H 3.581883 1.632119 0.527695
H 3.946542 1.619636 -1.192215
H 5.269791 -2.174319 0.024785
H 5.895673 2.779850 0.108746
H 7.761997 1.221149 0.524458
H 7.482039 -2.463647 0.510042
H 8.194683 -1.204527 1.562677
H 8.570046 -1.230043 -0.194891


