%chk=000158099.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158099

0 1
 O   0.5953000       2.920300     -0.4324000    
 O  -0.2491000       3.000200       1.716500    
 O   -4.329100      -4.148100      0.7793000    
 N   -1.417500     -0.7068000     -0.9917000    
 N    2.170000      0.3953000       1.150100    
 C   -1.200200      0.7245000     -0.7128000    
 C  -0.2124000      0.9143000      0.4894000    
 C   -2.141700     -0.4751000       1.362200    
 C   -2.600700       1.312400     -0.3408000    
 C   -1.769100      -1.464900      0.2254000    
 C  -0.8609000      0.2938000       1.757000    
 C   -3.178700      0.5468000      0.8659000    
 C    1.154000      0.3153000      0.2246000    
 C  -0.4561000      -1.380700      -1.867400    
 C   -3.575500       1.306500      -1.522300    
 C   -2.900400      -2.446200     -8.5000001E-02
 C   2.9999999E-02   2.393700      0.6911000    
 C    1.647400     -0.3857000     -0.8667000    
 C   0.8927000     -0.6940000      -2.117200    
 C    3.005700     -0.7356000     -0.5746000    
 C   -3.290300      -3.248900       1.141600    
 C   -4.866000       1.990200      -1.151700    
 C    3.300400     -0.2346000      0.6923000    
 C    4.017000      -1.431800      -1.271200    
 C    4.550200     -0.3943000       1.301600    
 C   0.8793000       4.321900     -0.3786000    
 C    5.272600      -1.600200     -0.6764000    
 C    5.533200      -1.088300      0.5919000    
 H  -0.8626000       1.250400      -1.613700    
 H   -2.512300     -0.9783000       2.258400    
 H   -2.466200       2.361400     -4.5100000E-02
 H  -0.9001000      -2.041100      0.5743000    
 H   -1.123500       1.033300       2.521500    
 H  -0.1796000     -0.4101000       2.252700    
 H   -4.110700      2.4800001E-02  0.6282000    
 H   -3.419300       1.256100       1.667700    
 H  -0.9455000      -1.498300      -2.842600    
 H  -0.2635000      -2.405300      -1.522300    
 H   -3.790400      0.2864000      -1.859700    
 H   -3.122700       1.834300      -2.370200    
 H   -2.593500      -3.142000     -0.8772000    
 H   -3.782300      -1.931700     -0.4859000    
 H   0.7552000      0.2300000      -2.691800    
 H    1.489500      -1.351300      -2.761200    
 H    2.092800      0.8513000       2.048600    
 H   -2.446800      -3.835000       1.518500    
 H   -3.681600      -2.634600       1.954500    
 H   -5.433300       1.444000     -0.3931000    
 H   -4.688500       3.005400     -0.7814000    
 H   -5.509700       2.071300      -2.034400    
 H    3.833200      -1.838400      -2.261600    
 H    4.753100      5.9000002E-03   2.289400    
 H   -5.088100      -3.617800      0.4821000    
 H    1.593300       4.532700      0.4232000    
 H  -4.4700000E-02   4.889700     -0.2337000    
 H    1.325700       4.614900      -1.332500    
 H    6.051600      -2.136500      -1.211800    
 H    6.514800      -1.229400       1.037000    


%chk=000158099-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158099

0 1
O 0.141405 3.187480 -0.476235
O 0.494851 2.959834 1.807668
O -3.943705 -4.642183 0.811408
N -1.418885 -0.704946 -0.932074
N 2.140984 0.373993 1.192251
C -1.222408 0.742203 -0.702909
C -0.213153 0.975637 0.489769
C -2.167555 -0.409227 1.379646
C -2.588169 1.399815 -0.347238
C -1.762902 -1.463171 0.305527
C -0.906272 0.394885 1.786522
C -3.231521 0.559607 0.804499
C 1.123143 0.295055 0.217680
C -0.552755 -1.398457 -1.915597
C -3.498598 1.525457 -1.589760
C -2.841343 -2.539358 0.016829
C 0.149458 2.457007 0.708255
C 1.592979 -0.443684 -0.875762
C 0.842523 -0.750044 -2.149307
C 2.954198 -0.840918 -0.557148
C -3.087110 -3.503535 1.191593
C -4.821541 2.271278 -1.309595
C 3.273296 -0.306979 0.743182
C 3.940599 -1.591712 -1.250252
C 4.533103 -0.497708 1.351386
C 0.608321 4.592694 -0.371212
C 5.198715 -1.787900 -0.647922
C 5.492714 -1.245648 0.638785
H -0.827486 1.206025 -1.620404
H -2.562571 -0.928552 2.272913
H -2.379805 2.427841 0.016769
H -0.858662 -2.001252 0.692171
H -1.180548 1.215242 2.474146
H -0.202565 -0.262851 2.327753
H -4.097446 -0.011916 0.420261
H -3.615538 1.214453 1.608673
H -1.062801 -1.477827 -2.899249
H -0.396321 -2.432513 -1.550495
H -3.704618 0.507775 -1.976293
H -2.944647 2.061549 -2.387946
H -2.517064 -3.145213 -0.851332
H -3.788684 -2.045691 -0.280631
H 0.721581 0.168898 -2.756841
H 1.435020 -1.444268 -2.775903
H 2.064839 0.929066 2.045105
H -2.141418 -3.974717 1.511904
H -3.524045 -2.972021 2.063744
H -5.419771 1.760190 -0.532672
H -4.630065 3.303532 -0.958840
H -5.444337 2.335450 -2.220753
H 3.731882 -2.011703 -2.241007
H 4.762333 -0.084288 2.339895
H -4.802414 -4.288592 0.465831
H 1.656858 4.616685 -0.030713
H -0.018851 5.151520 0.343180
H 0.511405 4.995814 -1.388678
H 5.968447 -2.364860 -1.172646
H 6.481317 -1.415146 1.080071


