%chk=000291738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291738

0 1
O -1.295271 1.876063 -1.646787
O -5.163372 1.755748 -0.354106
O -4.639214 0.066416 -1.725693
O 3.531047 1.140160 1.103044
O 4.316846 -1.090010 1.310776
N -1.985367 0.022454 -0.550748
C -3.093897 0.730393 0.127367
C -3.387868 -0.104326 1.390169
C -2.864897 -1.521292 1.088204
C -1.873533 -1.389206 -0.086165
C -1.132603 0.684943 -1.435720
C -4.324273 0.751758 -0.787352
C -0.052806 -0.136067 -2.116987
C 1.099453 -0.444729 -1.206041
C 1.707270 0.629142 -0.498412
C 1.564619 -1.754369 -1.084260
C 2.768007 0.297548 0.308911
C 3.240738 -1.045882 0.432728
C 2.660477 -2.087295 -0.252073
C 4.536048 0.290525 1.750616
H -2.803901 1.792968 0.357757
H -4.461117 -0.105375 1.648793
H -2.862216 0.333227 2.259902
H -2.379322 -1.963404 1.974625
H -3.698933 -2.194655 0.817809
H -0.830579 -1.603343 0.231493
H -2.132809 -2.080577 -0.915877
H 0.321049 0.459117 -2.988182
H -0.488066 -1.052090 -2.568282
H 1.347000 1.652597 -0.600907
H 1.089517 -2.557335 -1.646345
H -5.978200 1.848523 -0.914781
H 3.018424 -3.109294 -0.167483
H 4.362819 0.331307 2.833874
H 5.524831 0.606660 1.392734


%chk=000291738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291738

0 1
O -1.347062 1.800331 -1.611402
O -4.935638 2.095838 -0.212023
O -4.589486 0.335112 -1.689999
O 3.605839 1.319288 1.025895
O 4.443029 -0.899080 1.394777
N -2.008511 -0.093326 -0.465083
C -3.053840 0.666461 0.246497
C -3.483132 -0.304584 1.385102
C -3.281531 -1.704319 0.749425
C -2.002069 -1.537426 -0.107494
C -1.200111 0.556360 -1.378425
C -4.232547 0.982159 -0.683992
C -0.093300 -0.264682 -2.056644
C 1.107710 -0.494966 -1.138538
C 1.736677 0.629871 -0.521310
C 1.606623 -1.801193 -0.910688
C 2.842038 0.377037 0.289268
C 3.335748 -0.928549 0.507420
C 2.736905 -2.043542 -0.078974
C 4.746278 0.545434 1.582518
H -2.659522 1.624757 0.620334
H -4.514756 -0.122517 1.727241
H -2.804089 -0.163753 2.245026
H -3.174229 -2.502366 1.502517
H -4.138296 -1.951189 0.098548
H -1.087582 -1.787803 0.463820
H -2.029523 -2.169188 -1.013175
H 0.206412 0.323924 -2.941588
H -0.483329 -1.233902 -2.416055
H 1.360611 1.644531 -0.682872
H 1.118922 -2.653411 -1.397754
H -5.702215 2.284048 -0.818579
H 3.118976 -3.053007 0.092182
H 4.831628 0.756716 2.659581
H 5.663276 0.797237 1.017047


