%chk=000158169.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158169

0 1
 O   -3.165600       2.402200     -0.3108000    
 O   -3.104700      -2.397700     -0.3054000    
 O   -1.432900     -7.9999998E-04  -1.899700    
 N    2.676600      2.5400000E-02   1.320500    
 N    1.319300      3.4800000E-02   1.407400    
 N  -0.8083000      3.1599998E-02  0.3666000    
 C    4.747400     -7.4999998E-03  6.1799999E-02
 C    5.254100      -1.281500     -0.6971000    
 C    5.271200       1.234900     -0.7369000    
 C    5.410600      1.0800000E-02   1.462300    
 C    3.206700      3.1999999E-03  0.1036000    
 C    4.807300      -2.621100     -0.1172000    
 C    4.933400       2.598500     -0.1396000    
 C    2.534800     -1.1400000E-02  -1.073700    
 C    1.153900     -1.9000000E-03 -0.9853000    
 C   0.5872000      2.1199999E-02  0.2732000    
 C   -1.693000      2.0199999E-02 -0.7016000    
 C   -3.127500      2.4000001E-03 -0.3104000    
 C   -3.788000       1.202300     -0.1349000    
 C   -3.757600      -1.213500     -0.1338000    
 C   -5.133800       1.185500      0.2320000    
 C   -5.103200      -1.230200      0.2331000    
 C   -5.791400     -3.0700000E-02  0.4160000    
 C   -2.534300       2.977500      0.8309000    
 C   -2.462100      -2.954300      0.8392000    
 H    4.941600      -1.250000      -1.748600    
 H    6.352400      -1.273600     -0.7188000    
 H    6.364900       1.171400     -0.8192000    
 H    4.900400       1.215600      -1.769200    
 H    5.124600     -0.8613000       2.060000    
 H    6.503700      1.5500000E-02   1.384000    
 H    5.114500      0.8902000       2.044300    
 H    3.718000      -2.714800     -9.6299998E-02
 H    5.189100      -2.771400      0.8962000    
 H    5.195500      -3.437600     -0.7355000    
 H    3.854800       2.732500     -1.7200001E-02
 H    5.292100       3.391300     -0.8048000    
 H    5.416200       2.747200      0.8300000    
 H    3.010800     -3.1300001E-02  -2.045600    
 H   0.6419000     -1.4300000E-02  -1.932300    
 H   -1.180500      4.3699998E-02   1.312600    
 H   -5.676500       2.116000      0.3755000    
 H   -5.622400      -2.173800      0.3780000    
 H   -6.839200     -4.3900002E-02  0.7015000    
 H   -3.253000       3.613900       1.355800    
 H   -2.149700       2.220800       1.521400    
 H   -1.701700       3.597600      0.4880000    
 H   -3.170800      -3.593900       1.374000    
 H   -1.623700      -3.568000      0.4988000    
 H   -2.083100      -2.186000       1.520000    


%chk=000158169-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158169

0 1
O -2.377955 1.817325 1.180241
O -3.497925 -2.438864 -0.724104
O -1.351105 -0.927442 -1.561665
N 2.920399 0.693739 1.087077
N 1.555481 0.630420 1.161971
N -0.540026 0.014787 0.418208
C 5.115083 0.237899 -0.001908
C 5.743550 -1.199801 -0.081639
C 5.552881 1.004241 -1.302686
C 5.648806 0.977234 1.249245
C 3.582462 0.124634 0.023957
C 5.408987 -2.145261 1.091450
C 5.009852 2.441051 -1.451816
C 2.861895 -0.535738 -1.013186
C 1.466093 -0.612219 -0.957359
C 0.839909 -0.006153 0.169335
C -1.571825 -0.426142 -0.419381
C -2.967190 -0.269204 0.145382
C -3.386909 0.886166 0.873726
C -3.954733 -1.273115 -0.117149
C -4.734023 1.077455 1.263224
C -5.307801 -1.088686 0.269160
C -5.683442 0.087964 0.943678
C -2.748377 3.068415 1.849475
C -4.474837 -3.476542 -1.064600
H 5.428056 -1.677519 -1.032015
H 6.843284 -1.075052 -0.152641
H 6.661619 1.025465 -1.316298
H 5.246743 0.409293 -2.187833
H 5.363932 0.458372 2.178653
H 6.752700 1.040905 1.196662
H 5.233768 1.994787 1.325518
H 4.317812 -2.280723 1.203235
H 5.799942 -1.762173 2.050278
H 5.856562 -3.142315 0.923463
H 3.905080 2.460091 -1.429431
H 5.334955 2.877539 -2.414310
H 5.373688 3.102493 -0.646051
H 3.397516 -0.981863 -1.856919
H 0.858981 -1.094558 -1.724579
H -0.801578 0.562993 1.248376
H -5.041315 1.974285 1.805966
H -6.057690 -1.854075 0.056345
H -6.728993 0.230617 1.237441
H -3.465234 3.646138 1.236876
H -3.174870 2.875570 2.852008
H -1.804782 3.624203 1.946919
H -5.241188 -3.092597 -1.764699
H -3.884176 -4.262858 -1.555822
H -4.964064 -3.885481 -0.158979


