%chk=000161028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161028

1 1
 O   -2.560700     -0.7660000      2.2299999E-02
 O    2.518900     -0.6419000     -1.4000000E-03
 N   -3.589600       1.259600     -6.3000000E-03
 N    3.711000       1.326300      7.9999998E-04
 C   -4.566200      0.2875000     -6.6000000E-03
 C    4.606400      0.2672000     -2.6000000E-03
 C   -2.506400      0.5711000      1.0400000E-02
 C    2.438400      0.7722000      3.1000001E-03
 C   -3.932200     -0.9567000      1.1000000E-02
 C    3.872700     -0.9281000     -4.6999999E-03
 C   -5.955500      0.3861000     -2.0900000E-02
 C    5.985100      0.2282000     -4.1000000E-03
 C   -1.203500       1.258700      1.6700000E-02
 C    1.241800       1.370200      9.1000004E-03
 C   -3.790500       2.679100     -2.1600001E-02
 C    4.132600       2.704800      9.3999999E-03
 C   -4.619400      -2.163300      1.5600000E-02
 C    4.456200      -2.174800     -8.2000000E-03
 C  -9.3000000E-03  0.6455000      1.0700000E-02
 C   -6.670500     -0.8204000     -1.6500000E-02
 C    6.607200      -1.026600     -7.7999998E-03
 C   -6.017300      -2.063500      1.3000000E-03
 C    5.850500      -2.215100     -9.8999999E-03
 H   -6.480900       1.333800     -3.4699999E-02
 H    6.582700       1.133100     -2.4000001E-03
 H   -1.220900       2.345800      2.2700001E-02
 H    1.183100       2.455000      1.3000000E-02
 H   -3.352900       3.124300      0.8772000    
 H   -3.322800       3.109600     -0.9127000    
 H   -4.852200       2.935600     -4.1999999E-02
 H    4.722600       2.923300      0.9063000    
 H    3.282800       3.394200      8.9999998E-04
 H    4.743500       2.928600     -0.8720000    
 H   -4.112100      -3.119700      2.9300001E-02
 H    3.866800      -3.083400     -9.3999999E-03
 H   3.2499999E-02 -0.4404000      3.3000000E-03
 H   -7.757800     -0.7928000     -2.7200000E-02
 H    7.692700      -1.086400     -8.9999996E-03
 H   -6.612600      -2.973800      4.0000002E-03
 H    6.362300      -3.173900     -1.2600000E-02


%chk=000161028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161028

1 1
O -2.505981 -0.539550 -0.004551
O 2.505663 -0.576581 -0.000623
N -3.725976 1.372205 -0.004343
N 3.788346 1.291485 -0.000327
C -4.657686 0.297199 -0.004806
C 4.679275 0.185394 0.001609
C -2.441763 0.858617 -0.003920
C 2.485390 0.825980 -0.000898
C -3.890754 -0.891865 -0.005008
C 3.875163 -0.976642 0.001037
C -6.062360 0.246219 -0.005056
C 6.081961 0.096454 0.003372
C -1.220640 1.551155 -0.002835
C 1.273415 1.536198 -0.001511
C -4.050534 2.805928 -0.004020
C 4.223833 2.694751 0.000645
C -4.444727 -2.171392 -0.005634
C 4.391149 -2.272186 0.001959
C 0.022800 0.888788 -0.002695
C -6.648866 -1.043053 -0.005702
C 6.629856 -1.209801 0.004373
C -5.862074 -2.224974 -0.005996
C 5.806806 -2.366873 0.003649
H -6.685191 1.144918 -0.004602
H 6.725688 0.980183 0.004212
H -1.265694 2.644682 -0.001878
H 1.323421 2.628961 -0.000529
H -3.651256 3.294619 0.901454
H -3.636696 3.297819 -0.901134
H -5.143016 2.926064 -0.012971
H 4.813598 2.907224 0.908781
H 3.352713 3.363779 -0.016944
H 4.841627 2.898293 -0.890657
H -3.826755 -3.072000 -0.005833
H 3.747537 -3.154673 0.001419
H 0.015636 -0.209186 -0.003439
H -7.739550 -1.129170 -0.005907
H 7.717374 -1.329688 0.005813
H -6.358143 -3.199819 -0.006486
H 6.272911 -3.356462 0.004482


