%chk=000152696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152696

2 1
 O  -2.1700000E-02   3.001900      5.4000001E-03
 N   -4.990800      -1.040000     -6.9999998E-04
 N    4.981000     -0.9175000     -1.7000000E-03
 C   -3.658500     -0.2862000      6.0000003E-04
 C    3.705500     -0.2366000     -3.0000001E-04
 C   -5.062000      -1.912400       1.249300    
 C   -5.071100      -1.892900      -1.263700    
 C   -6.189500     -9.3699999E-02  1.0600000E-02
 C    6.077900     -8.3300002E-02 -0.7229000    
 C    4.894800      -2.300400     -0.7085000    
 C    5.570000      -1.223100       1.411600    
 C   -2.530400      -1.035900     -6.9999998E-04
 C    3.090000      9.3900003E-02  -1.207600    
 C   -3.720000       1.066900      3.0000000E-03
 C    3.090500      9.0099998E-02   1.208300    
 C   -1.304200       1.045900      2.9000000E-03
 C    1.279800       1.058500      2.4000001E-03
 C   -1.316300     -0.3490000      6.0000003E-04
 C    1.859500      0.7510000      -1.206200    
 C   -2.506000       1.753800      4.1000000E-03
 C    1.860000      0.7470000       1.209700    
 C  -3.8500000E-02   1.761900      3.8000001E-03
 H   -4.921800      -1.276600       2.129400    
 H   -6.050400      -2.382300       1.279300    
 H   -4.299000      -2.694300       1.203900    
 H   -4.303900      -2.671600      -1.237800    
 H   -6.058000      -2.366200      -1.291500    
 H   -4.941400      -1.242700      -2.134900    
 H   -6.187700      0.5141000     -0.9002000    
 H   -7.097900     -0.7071000      1.2100000E-02
 H   -6.177700      0.5046000      0.9277000    
 H    5.799700      3.6699999E-02  -1.773500    
 H    6.148600      0.8866000     -0.2212000    
 H    7.026100     -0.6251000     -0.6529000    
 H    4.630800      -2.146200      -1.758300    
 H    5.874000      -2.784400     -0.6417000    
 H    4.133200      -2.894900     -0.1947000    
 H    6.530000      -1.733500       1.279700    
 H    5.731500     -0.2756000       1.934900    
 H    4.878000      -1.883800       1.943200    
 H   -2.513700      -2.118900     -3.8000001E-03
 H    3.541900     -0.1471000      -2.165500    
 H   -4.612000       1.677100      3.8000001E-03
 H    3.515200     -0.1383000       2.179400    
 H  -0.4048000     -0.9391000     -7.9999998E-04
 H    1.383400       1.006600      -2.147800    
 H   -2.522800       2.840700      5.7999999E-03
 H    1.383700       1.000000       2.152000    


%chk=000152696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152696

2 1
O -0.037374 2.214338 -1.822486
N -5.319757 -0.872157 0.369607
N 5.353242 -0.776361 0.183078
C -3.927796 -0.327301 0.038086
C 3.919962 -0.342735 -0.133238
C -5.288032 -1.585015 1.732630
C -5.755231 -1.864066 -0.725123
C -6.384839 0.227089 0.446695
C 6.247938 0.471993 0.306613
C 5.883425 -1.681766 -0.943603
C 5.462546 -1.557046 1.495273
C -2.856356 -1.244455 -0.063885
C 3.690803 0.371204 -1.334009
C -3.720002 1.050482 -0.184905
C 2.858940 -0.619484 0.752737
C -1.338831 0.604641 -0.626121
C 1.306908 0.547387 -0.759618
C -1.565653 -0.775795 -0.388180
C 2.393139 0.816944 -1.635499
C -2.429908 1.504348 -0.523612
C 1.553758 -0.177671 0.431268
C -0.023848 1.172371 -1.105838
H -4.984083 -0.859817 2.501780
H -6.295128 -1.972737 1.949733
H -4.570234 -2.415642 1.698802
H -5.053538 -2.708321 -0.759308
H -6.765742 -2.229476 -0.486060
H -5.755733 -1.341462 -1.692950
H -6.469324 0.731162 -0.526748
H -7.344639 -0.250470 0.694350
H -6.120595 0.945123 1.236259
H 6.237615 1.027783 -0.640650
H 5.856090 1.107424 1.114387
H 7.274126 0.146720 0.536871
H 5.883508 -1.130219 -1.893172
H 6.910761 -1.987662 -0.693288
H 5.229941 -2.562819 -1.024061
H 6.518200 -1.831660 1.638871
H 5.136096 -0.923303 2.332325
H 4.853289 -2.470596 1.435299
H -2.998675 -2.319160 0.087321
H 4.497458 0.601121 -2.036868
H -4.525837 1.783568 -0.117228
H 3.008789 -1.155053 1.692341
H -0.754279 -1.501673 -0.499391
H 2.206943 1.400659 -2.542242
H -2.259170 2.564557 -0.734966
H 0.746126 -0.366392 1.145322


