%chk=000298594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298594

0 1
O -0.406175 2.640978 -0.117164
N -0.314950 0.349133 -0.776867
C -1.148717 -0.623919 0.006173
C -1.697023 0.629883 0.805416
C -2.413491 -1.153609 -0.726726
C -3.198366 0.654711 0.442465
C -3.207766 0.151120 -1.032856
C -3.304427 -1.790774 0.380475
C -3.842083 -0.563281 1.171614
C -0.732464 1.489223 -0.044363
C 0.894928 0.084512 -1.555308
C 2.106780 -0.138619 -0.675849
C 2.619484 0.924627 0.082768
C 2.720712 -1.396281 -0.618190
C 3.741401 0.728121 0.890536
C 3.845700 -1.587429 0.190756
C 4.357093 -0.527599 0.945136
H -0.576797 -1.389374 0.545089
H -1.491237 0.684772 1.879354
H -2.205868 -1.799539 -1.584460
H -3.690582 1.615854 0.626163
H -4.215194 -0.033287 -1.424385
H -2.706018 0.823114 -1.740847
H -2.743025 -2.482222 1.024088
H -4.125917 -2.370850 -0.066143
H -4.940143 -0.507977 1.129670
H -3.567881 -0.605146 2.234788
H 1.073997 0.960365 -2.228283
H 0.708563 -0.790459 -2.219043
H 2.136027 1.903739 0.042055
H 2.328448 -2.226402 -1.201548
H 4.137933 1.554984 1.477978
H 4.323339 -2.564670 0.231871
H 5.232621 -0.677698 1.573438


%chk=000298594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298594

0 1
O -0.921183 2.946051 -0.706429
N -0.288833 0.614721 -0.513844
C -1.119783 -0.274199 0.356145
C -2.007406 1.006250 0.674385
C -2.116815 -1.230493 -0.350990
C -3.401192 0.620959 0.105407
C -3.031707 -0.245731 -1.136851
C -3.085930 -1.726280 0.772343
C -3.983323 -0.463095 1.066501
C -1.038447 1.776777 -0.273187
C 0.853169 0.356745 -1.388520
C 2.099955 -0.111334 -0.638320
C 2.548239 0.588304 0.510844
C 2.838210 -1.231505 -1.090967
C 3.715937 0.178436 1.189905
C 4.009649 -1.644013 -0.413567
C 4.451837 -0.939728 0.729161
H -0.555942 -0.739840 1.181712
H -2.027819 1.372795 1.712584
H -1.649009 -2.041297 -0.932864
H -4.064763 1.479939 -0.077990
H -3.910715 -0.746016 -1.579527
H -2.506857 0.315916 -1.928005
H -2.535623 -2.070870 1.667253
H -3.693580 -2.574817 0.411233
H -5.043049 -0.663082 0.826430
H -3.934672 -0.147580 2.124258
H 1.052885 1.314589 -1.909336
H 0.583333 -0.387322 -2.164593
H 1.978585 1.455341 0.866472
H 2.497836 -1.783024 -1.976812
H 4.055171 0.729850 2.074154
H 4.572187 -2.512394 -0.774880
H 5.358556 -1.258052 1.255697


