%chk=000158142.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158142

0 1
 O    3.032900       1.343100      0.2187000    
 O   -2.443100      -1.033900     -0.9901000    
 O    2.082200      -3.298100     -0.1741000    
 O   -3.188500       1.538300      -1.027600    
 N   0.3264000      -1.799900     -0.4636000    
 C    4.434800       1.134000      0.4909000    
 C    2.205400      0.2613000      5.1000002E-03
 C   0.7996000      0.5931000     -0.2635000    
 C    2.617100      -1.016100      3.1800002E-02
 C  -0.1221000     -0.4410000     -0.4951000    
 C    4.867700     -0.3114000      0.5140000    
 C    4.005300      -1.308600      0.2973000    
 C    1.658100      -2.140700     -0.2100000    
 C    4.714100       1.774500       1.854600    
 C    5.207900       1.882900     -0.5997000    
 C   -1.465400     -0.1107000     -0.7523000    
 C   0.3598000       1.929600     -0.2938000    
 C   -1.886700       1.219300     -0.7793000    
 C  -0.5965000      -2.908200     -0.6974000    
 C  -0.9745000       2.239600     -0.5500000    
 C   -3.156300      -1.524000      0.1419000    
 C   -4.366200     -0.6747000      0.3751000    
 C   -3.556100       1.743800      -2.389900    
 C   -4.697000      1.5400000E-02   1.482900    
 C   -5.972300      0.8156000       1.527400    
 C   -3.886700      7.6700002E-02   2.746700    
 H    5.910900     -0.5415000      0.7131000    
 H    4.349300      -2.336200      0.3210000    
 H    5.774900       1.722100       2.123300    
 H    4.408300       2.827300       1.861500    
 H    4.134300       1.281100       2.644000    
 H    4.986200       1.468200      -1.590400    
 H    4.910600       2.937700     -0.6347000    
 H    6.291000       1.835300     -0.4416000    
 H    1.047900       2.753400     -0.1183000    
 H   -1.202000      -3.080800      0.1911000    
 H  -4.4399999E-02  -3.841900     -0.8541000    
 H   -1.165600      -2.769200      -1.618600    
 H   -1.291300       3.278700     -0.5672000    
 H   -3.493600      -2.539400     -9.3500003E-02
 H   -2.509700      -1.590600       1.020500    
 H   -5.052400     -0.6387000     -0.4707000    
 H   -3.369300      0.8421000      -2.981600    
 H   -3.005600       2.590800      -2.811500    
 H   -4.625400       1.969200      -2.425200    
 H   -6.618500      0.4544000       2.334100    
 H   -5.749600       1.872800       1.706000    
 H   -6.539600      0.7501000      0.5929000    
 H   -4.465400     -0.3287000       3.583200    
 H   -2.948900     -0.4791000       2.698400    
 H   -3.632300       1.116900       2.977300    


%chk=000158142-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158142

0 1
O 2.452863 1.455379 0.784158
O -2.669034 -1.066261 -1.467388
O 1.735227 -3.241725 -0.112421
O -3.375024 1.710639 -1.838811
N 0.131804 -1.670351 -0.807861
C 3.940123 1.237281 1.066785
C 1.720771 0.393681 0.268511
C 0.445622 0.721984 -0.323834
C 2.146750 -0.925654 0.405175
C -0.378251 -0.355671 -0.807864
C 4.176936 -0.185539 1.556841
C 3.353828 -1.204431 1.177607
C 1.362941 -2.022866 -0.153164
C 4.269021 2.295116 2.130060
C 4.680397 1.497684 -0.264558
C -1.711639 -0.045354 -1.244596
C -0.012125 2.066646 -0.407841
C -2.112818 1.310457 -1.384818
C -0.466190 -2.751254 -1.635408
C -1.256269 2.364985 -0.966006
C -3.274606 -1.613729 -0.175402
C -4.043951 -0.574064 0.583706
C -3.955699 1.028518 -3.016313
C -3.655791 0.045421 1.739351
C -4.532308 1.115344 2.366258
C -2.364556 -0.229626 2.487803
H 5.061564 -0.356122 2.180642
H 3.544582 -2.247034 1.449919
H 5.346564 2.263136 2.372417
H 4.024461 3.304549 1.757179
H 3.694392 2.109912 3.052886
H 4.370217 0.765427 -1.029914
H 4.466309 2.517239 -0.632424
H 5.770930 1.395126 -0.116635
H 0.646696 2.858586 -0.042451
H -1.276529 -3.282045 -1.109736
H 0.336813 -3.476560 -1.838702
H -0.866616 -2.325512 -2.565801
H -1.614138 3.392464 -1.074653
H -3.927734 -2.414901 -0.559542
H -2.458916 -2.060167 0.421465
H -4.990963 -0.260744 0.123543
H -4.121916 -0.041035 -2.815569
H -3.283469 1.144622 -3.887824
H -4.904671 1.554025 -3.202508
H -4.811445 0.843725 3.403414
H -3.985636 2.077184 2.425820
H -5.457048 1.282242 1.788840
H -2.575779 -0.478910 3.545884
H -1.765180 -1.047238 2.057439
H -1.730809 0.679321 2.495339


