%chk=000081715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081715

0 1
 O   -3.732800       2.447400      0.8394000    
 O    3.928500       1.992300      0.7444000    
 O   -2.527800       2.218600      -1.102500    
 O    4.747700      0.4650000     -0.7626000    
 N   -3.410600      0.3826000      8.8000000E-03
 N    2.489300      0.5822000     -0.2448000    
 C   -1.627200      -1.207400     -0.4667000    
 C   0.7784000      -1.130100     -0.5705000    
 C   -1.552400      -2.301100      0.3956000    
 C   0.8598000      -2.220400      0.2891000    
 C  -0.4584000     -0.6201000     -0.9512000    
 C  -0.3089000      -2.807700      0.7736000    
 C   -2.947000     -0.6475000     -0.8847000    
 C    2.022800     -0.4813000      -1.104200    
 C   -2.790000      -2.946600      0.9268000    
 C    2.179500      -2.780000      0.7075000    
 C   -3.162700       1.729300     -0.1739000    
 C    3.810900      0.9639000     -0.1478000    
 C   -3.553500       3.866800      0.7764000    
 C    5.254300       2.494200      0.9474000    
 H  -0.5135000      0.2331000      -1.622900    
 H  -0.2506000      -3.661600       1.444400    
 H   -2.870500     -0.2304000      -1.896800    
 H   -3.725500      -1.414300     -0.9439000    
 H    2.826800      -1.203800      -1.280200    
 H    1.821400     -2.9300001E-02  -2.083600    
 H   -3.433000      -2.215100       1.426000    
 H   -2.554900      -3.716200       1.670800    
 H   -3.345200      -3.436700      0.1206000    
 H    2.816800      -2.002400       1.140700    
 H    2.689300      -3.240800     -0.1447000    
 H    2.064400      -3.554500       1.474100    
 H   -3.943000      0.1046000      0.8277000    
 H    1.805900       1.112800      0.2878000    
 H   -4.006700       4.265200     -0.1364000    
 H   -2.489100       4.116000      0.8214000    
 H   -4.055000       4.311200       1.640200    
 H    5.900800       1.705500       1.343800    
 H    5.202100       3.305600       1.678000    
 H    5.656400       2.890500      1.0200000E-02


%chk=000081715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081715

0 1
O -4.132875 2.397380 0.729668
O 4.382208 1.664950 0.872855
O -2.903022 2.102932 -1.264820
O 4.746402 -0.023734 -0.736451
N -3.724561 0.287982 -0.014824
N 2.601131 0.820808 -0.258100
C -1.720820 -1.182629 -0.440408
C 0.721677 -0.796743 -0.611606
C -1.493856 -2.249169 0.476021
C 0.960839 -1.864111 0.305087
C -0.609658 -0.482075 -0.967406
C -0.156476 -2.564257 0.822135
C -3.126291 -0.762544 -0.866883
C 1.862575 -0.000359 -1.235232
C -2.639103 -3.050487 1.077006
C 2.363107 -2.250641 0.740386
C -3.522132 1.621693 -0.278477
C 3.964972 0.743014 -0.112662
C -4.021467 3.856733 0.535062
C 5.838458 1.686707 1.114501
H -0.800042 0.342138 -1.666749
H 0.024553 -3.391749 1.520217
H -3.094789 -0.356654 -1.892315
H -3.817103 -1.623719 -0.865544
H 2.614038 -0.662672 -1.702130
H 1.457977 0.652067 -2.033085
H -3.344559 -2.408688 1.639201
H -2.259656 -3.812764 1.778271
H -3.226712 -3.577766 0.301077
H 2.757809 -1.534986 1.486826
H 3.081534 -2.247111 -0.098890
H 2.372681 -3.254025 1.199797
H -4.198157 0.041686 0.854642
H 2.093478 1.490695 0.321243
H -4.544336 4.165397 -0.386359
H -2.962870 4.159780 0.466481
H -4.500036 4.294811 1.422725
H 6.192399 0.696380 1.448401
H 5.979920 2.440985 1.902005
H 6.379565 1.970247 0.195632


