%chk=000286448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286448

0 1
S 2.341516 -2.174686 -0.393029
O 1.005896 1.664805 1.372506
O -5.599830 -1.506846 0.265774
O -5.980480 0.617645 0.400879
N -5.241774 -0.340070 0.233290
C 1.180324 0.520581 0.507855
C 0.334323 0.719537 -0.768278
C 2.658048 0.486842 0.185041
C -1.117270 0.447124 -0.514699
C 3.290637 -0.699534 -0.205986
C 3.419188 1.662763 0.275434
C -1.584644 -0.878723 -0.463991
C -2.013160 1.511964 -0.314413
C 4.653870 -0.724883 -0.508319
C 4.784806 1.642895 -0.016744
C -2.929968 -1.141530 -0.221569
C -3.361966 1.260646 -0.072133
C -3.814673 -0.067599 -0.024910
C 5.403607 0.451065 -0.410299
C 2.992844 -3.245859 0.911357
H 0.859021 -0.382880 1.078635
H 0.715039 0.060107 -1.579503
H 0.495687 1.752804 -1.145014
H 2.931015 2.588389 0.594386
H -0.888000 -1.706219 -0.617471
H -1.655553 2.541513 -0.357481
H 5.134663 -1.651162 -0.824289
H 0.073292 1.732427 1.658811
H 5.369174 2.559237 0.062348
H -3.307019 -2.169747 -0.182482
H -4.070891 2.082117 0.081220
H 6.467506 0.439141 -0.642052
H 2.891198 -2.789164 1.902294
H 4.046995 -3.494067 0.747268
H 2.412479 -4.178233 0.897566


%chk=000286448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286448

0 1
S 2.508034 -2.336564 -0.477692
O 0.837009 1.495680 1.392136
O -5.832316 -1.255182 0.374209
O -6.035774 1.014410 0.484533
N -5.343250 -0.061370 0.304415
C 1.161517 0.383419 0.487915
C 0.331488 0.493265 -0.840154
C 2.655317 0.439294 0.203036
C -1.155482 0.356095 -0.583842
C 3.367956 -0.706566 -0.244909
C 3.358197 1.662200 0.347862
C -1.750499 -0.932580 -0.484802
C -1.970505 1.503313 -0.378399
C 4.747157 -0.620500 -0.547531
C 4.736637 1.745285 0.059137
C -3.119696 -1.079857 -0.195876
C -3.343916 1.377626 -0.087893
C -3.898684 0.082768 0.001437
C 5.436142 0.602025 -0.391990
C 3.286480 -3.314967 0.944637
H 0.917388 -0.590341 0.961656
H 0.677544 -0.301099 -1.524937
H 0.569568 1.469455 -1.300064
H 2.805932 2.530691 0.717437
H -1.129457 -1.821440 -0.644157
H -1.525477 2.500173 -0.471948
H 5.272312 -1.507832 -0.917317
H -0.127599 1.452544 1.616573
H 5.263621 2.697630 0.184166
H -3.594302 -2.061952 -0.122854
H -3.986029 2.248979 0.065598
H 6.504322 0.660679 -0.627824
H 3.025282 -2.852674 1.908168
H 4.378734 -3.350263 0.818571
H 2.868252 -4.331944 0.882707


