%chk=000090383.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090383

0 1
 O   -3.621400      -3.093900       1.423400    
 O    2.829500      -2.321600      -2.355100    
 O   0.9717000      -1.217200      -1.970500    
 O    7.017200      0.7778000      0.9993000    
 O    6.957100     -0.9669000     -0.3318000    
 N   -5.242600      0.9325000     -0.4267000    
 N   -1.619600      -1.899500       1.073600    
 N   0.2421000      0.1129000      0.3593000    
 N   0.8795000      0.7527000     -0.5065000    
 N    2.201800      -1.388200      -1.802300    
 N    6.390600     -1.1400000E-02  0.2517000    
 N    1.813900       3.402900       1.720000    
 C   -3.862800      0.7204000     -0.2264000    
 C   -5.718700       2.176900     -0.9975000    
 C   -6.201700     -9.6600004E-02 -7.7200003E-02
 C   -3.413900     -0.4802000      0.3236000    
 C   -2.946900       1.711800     -0.5786000    
 C   -2.049100     -0.6897000      0.5213000    
 C   -1.137500      0.3022000      0.1687000    
 C   -5.780400       3.251700      7.0699997E-02
 C   -6.274000      -1.138300      -1.177100    
 C   -1.582100       1.502400     -0.3805000    
 C    2.258800      0.5634000     -0.3154000    
 C   -2.400400      -2.988600       1.478400    
 C    2.910300     -0.4918000     -0.9540000    
 C    2.976200       1.428100      0.5111000    
 C    4.279300     -0.6821000     -0.7662000    
 C    4.996800      0.1826000      6.0500000E-02
 C    4.345200       1.237600      0.6992000    
 C   -1.552500      -4.109400       2.025600    
 C    2.333800       2.519600       1.179300    
 H   -5.131200       2.496700      -1.865400    
 H   -6.732400       2.037900      -1.395900    
 H   -6.014000     -0.5431000      0.9057000    
 H   -7.199100      0.3516000      2.4599999E-02
 H   -4.131600      -1.231700      0.5926000    
 H   -3.229400       2.666200      -1.008200    
 H   -6.443500       2.949800      0.8890000    
 H   -4.804000       3.476600      0.5082000    
 H   -6.176100       4.179900     -0.3540000    
 H   -6.558500     -0.6795000      -2.130600    
 H   -5.326000      -1.659500      -1.335700    
 H   -7.029800      -1.891200     -0.9307000    
 H  -0.9075000       2.311900     -0.6478000    
 H  -0.6121000      -1.986300       1.190400    
 H    4.791300      -1.503500      -1.262200    
 H    4.887500       1.922900       1.348100    
 H  -0.8715000      -4.470300       1.249700    
 H   -2.192800      -4.934800       2.348900    
 H  -0.9743000      -3.752700       2.882700    


%chk=000090383-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090383

0 1
O -3.650544 -2.292607 2.553075
O 3.568772 2.597821 -2.771870
O 2.001275 1.013828 -3.272835
O 7.005748 -0.960044 1.248389
O 7.428718 0.350622 -0.578171
N -5.322083 0.865462 -0.625785
N -1.648733 -1.520983 1.593970
N 0.152584 -0.236519 0.020716
N 1.033782 0.430858 -0.730596
N 2.931166 1.498541 -2.529430
N 6.624208 -0.251897 0.234929
N 1.432061 -1.946088 2.406719
C -3.972780 0.606699 -0.482772
C -5.852469 1.758251 -1.686973
C -6.335574 0.260491 0.278058
C -3.515331 -0.335045 0.494142
C -2.995268 1.282074 -1.316228
C -2.146486 -0.604352 0.653598
C -1.171257 0.083888 -0.180960
C -5.893809 3.243910 -1.264256
C -6.798332 -1.140353 -0.180224
C -1.644972 1.023546 -1.159473
C 2.365870 0.133526 -0.466695
C -2.383895 -2.319984 2.487600
C 3.350409 0.735533 -1.327001
C 2.883088 -0.651478 0.639510
C 4.726819 0.646447 -1.100736
C 5.176661 -0.123762 -0.008359
C 4.272595 -0.774922 0.853465
C -1.544990 -3.241371 3.358370
C 2.021459 -1.328425 1.568111
H -5.259236 1.630896 -2.608623
H -6.873766 1.410048 -1.925599
H -5.931322 0.216547 1.304005
H -7.198861 0.950037 0.307076
H -4.204880 -0.885679 1.131987
H -3.311980 2.008605 -2.067897
H -6.516199 3.382161 -0.362262
H -4.882739 3.626155 -1.041294
H -6.325982 3.857494 -2.075186
H -7.228188 -1.105380 -1.197505
H -5.960226 -1.857047 -0.181631
H -7.573053 -1.522689 0.508094
H -0.895489 1.520044 -1.782631
H -0.621345 -1.601530 1.623156
H 5.441635 1.150671 -1.755892
H 4.662198 -1.366346 1.686756
H -1.646165 -4.277325 2.984984
H -1.950756 -3.225595 4.382970
H -0.477139 -2.973734 3.370503


