%chk=000159348.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159348

0 1
 O   0.7523000      0.9027000      -2.080800    
 O  -0.7692000      -1.433300      -2.453800    
 N    1.818100       2.430500     -0.1764000    
 N  -0.6891000     -0.1042000     -0.5410000    
 N    5.221400       2.758900      2.6600000E-02
 N    2.466600      -2.626000      0.9569000    
 N   -1.967600      -3.432700      -1.005900    
 N    3.141700      -4.762400      9.0700001E-02
 N    1.027600      -4.441300      0.8795000    
 C   0.4749000       1.895300      7.0400000E-02
 C  -0.4750000       3.084800     -7.0100002E-02
 C    1.767300       3.853700      0.1587000    
 C   0.4247000       4.262700     -0.4144000    
 C    2.858900       1.728000      0.5623000    
 C    2.820600      0.2156000      0.2745000    
 C   0.2138000      0.8625000     -0.9782000    
 C    3.859700     -0.6157000       1.045900    
 C    4.180100       2.303200      0.2609000    
 C    3.802500      -2.096000      0.6797000    
 C   -1.125100      -1.190600      -1.302300    
 C   -2.139400      -2.051800     -0.5517000    
 C   -3.574800      -1.587500     -0.8405000    
 C   -4.001400     -0.4167000      1.3600000E-02
 C    2.256300      -3.868300      0.6505000    
 C   -4.608900     -0.6543000       1.235800    
 C   -3.777200      0.8724000     -0.4416000    
 C   -5.003100      0.4267000       2.024300    
 C   -4.171200       1.953400      0.3468000    
 C   -4.784300       1.730500       1.579800    
 H   0.3689000       1.480800       1.081500    
 H   -1.249900       2.950900     -0.8317000    
 H  -0.9720000       3.276100      0.8888000    
 H    1.778700       4.024600       1.243000    
 H    2.574300       4.431000     -0.3030000    
 H   0.4905000       4.378100      -1.503400    
 H   5.5900000E-02   5.202300      7.4000000E-03
 H    2.686400       1.853100       1.641200    
 H    1.849600     -0.1977000      0.5567000    
 H    2.967600      3.5399999E-02 -0.7987000    
 H    4.871800     -0.2503000      0.8406000    
 H    3.684200     -0.4970000       2.122300    
 H   -1.062300     -9.8999999E-03  0.4003000    
 H    4.554500      -2.632100       1.270900    
 H    4.049400      -2.208600     -0.3832000    
 H   -1.927200      -2.027700      0.5234000    
 H   -3.697300      -1.330100      -1.901700    
 H   -4.281300      -2.409900     -0.6590000    
 H   -2.142700      -3.495700      -2.008100    
 H   -1.003700      -3.729000     -0.8582000    
 H   -4.781200      -1.665900       1.591900    
 H   -3.307800       1.058400      -1.403200    
 H   -5.479700      0.2533000       2.984700    
 H   -4.001700       2.968700      3.0000001E-04
 H   -5.090900       2.572300       2.193700    
 H    4.095200      -4.507200     -0.1403000    
 H    2.864100      -5.717600     -0.1077000    
 H   0.8417000      -5.410000      0.6444000    
 H   0.2684000      -3.906300       1.287300    


%chk=000159348-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159348

0 1
O 0.395675 1.189031 -2.053281
O -1.217390 -1.260415 -2.433608
N 1.853095 2.433466 0.190438
N -0.690162 -0.133940 -0.423848
N 5.309984 2.776971 0.497535
N 2.674779 -2.752836 1.032141
N -1.733118 -3.581350 -0.698254
N 2.720897 -4.576483 -0.580196
N 0.913346 -4.311367 0.905513
C 0.474663 1.918959 0.311665
C -0.436011 3.197317 0.288984
C 1.864764 3.910070 0.357061
C 0.502861 4.314105 -0.234847
C 2.911771 1.641064 0.850899
C 2.950999 0.176368 0.325174
C 0.092069 0.971007 -0.861563
C 4.049027 -0.694536 0.964349
C 4.232210 2.287665 0.644013
C 3.926191 -2.164440 0.508545
C -1.296579 -1.159698 -1.183658
C -2.088596 -2.200964 -0.337337
C -3.617432 -1.962663 -0.547881
C -4.080700 -0.594897 -0.070507
C 2.171876 -3.820835 0.463649
C -4.417816 -0.384016 1.292859
C -4.146896 0.508071 -0.961640
C -4.808801 0.893243 1.755544
C -4.538351 1.786701 -0.503729
C -4.869536 1.984709 0.857278
H 0.323077 1.371650 1.276393
H -1.333985 3.061895 -0.336692
H -0.771312 3.424741 1.317350
H 1.936522 4.218749 1.429849
H 2.719183 4.351162 -0.183849
H 0.554343 4.283173 -1.336369
H 0.181819 5.320616 0.082830
H 2.760056 1.598118 1.965420
H 1.978401 -0.301745 0.543938
H 3.066911 0.210316 -0.774176
H 5.051751 -0.310968 0.694316
H 3.965194 -0.667432 2.068592
H -0.866972 -0.175760 0.584567
H 4.802452 -2.729131 0.895508
H 3.983865 -2.192699 -0.608228
H -1.861718 -2.064928 0.739784
H -3.828968 -2.093596 -1.626375
H -4.131369 -2.774304 -0.002398
H -1.841225 -3.742753 -1.708294
H -0.793454 -3.852524 -0.359780
H -4.389988 -1.230899 1.990927
H -3.888828 0.361473 -2.017706
H -5.076972 1.034966 2.808911
H -4.591943 2.623994 -1.208943
H -5.180932 2.973896 1.211518
H 3.636326 -4.327497 -0.944905
H 2.121077 -5.151214 -1.168860
H 0.814685 -5.327976 0.977699
H 0.562887 -3.791531 1.714076


