%chk=000221838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221838

0 1
O 0.183673 -0.926080 1.759983
N -0.414712 -0.934037 -0.443426
C -1.712411 -1.628522 -0.209017
C -2.885402 -0.718754 -0.632159
C -3.047130 0.481065 0.308521
C -4.239524 1.358040 -0.097542
C -1.728128 -2.944346 -0.996169
C -4.401056 2.554066 0.837952
C 0.443477 -0.616648 0.608347
C 1.695535 0.103488 0.199641
C 2.934032 -0.449347 0.549890
C 1.631100 1.323929 -0.484204
C 4.112387 0.214950 0.197303
C 2.812821 1.985872 -0.829536
C 4.051956 1.430204 -0.492738
H -1.787143 -1.852294 0.893392
H -2.751087 -0.371393 -1.673410
H -3.818069 -1.316705 -0.638091
H -2.119138 1.085240 0.316791
H -3.174798 0.129883 1.351977
H -4.111020 1.712703 -1.138601
H -5.168876 0.755375 -0.095547
H -1.694816 -2.787008 -2.078946
H -0.869728 -3.574413 -0.729493
H -2.632485 -3.522804 -0.775324
H -0.188446 -0.690930 -1.400745
H -4.565975 2.235908 1.874211
H -3.511592 3.194395 0.833280
H -5.255108 3.174643 0.545443
H 2.972760 -1.388454 1.104478
H 0.666038 1.763090 -0.735052
H 5.077283 -0.212330 0.466432
H 2.767993 2.936826 -1.357838
H 4.971390 1.947588 -0.764100


%chk=000221838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221838

0 1
O 0.185760 -1.089141 1.650671
N -0.467667 -0.968629 -0.581629
C -1.750969 -1.681328 -0.393903
C -2.958524 -0.729061 -0.611233
C -3.009060 0.449336 0.384352
C -4.211600 1.391222 0.146171
C -1.813220 -2.913319 -1.322941
C -4.254664 2.567721 1.144988
C 0.409168 -0.701009 0.458180
C 1.661363 0.067979 0.102248
C 2.737525 0.017991 1.024590
C 1.796915 0.850330 -1.075083
C 3.935604 0.715213 0.765920
C 2.995462 1.551844 -1.332802
C 4.070136 1.481428 -0.416369
H -1.741163 -2.012258 0.661143
H -2.937061 -0.342280 -1.653219
H -3.887127 -1.329256 -0.521539
H -2.068424 1.031587 0.315310
H -3.048049 0.052731 1.419083
H -4.168374 1.785918 -0.890228
H -5.153941 0.809777 0.217357
H -1.800509 -2.613474 -2.389462
H -0.957441 -3.586448 -1.140489
H -2.744618 -3.481019 -1.147424
H -0.203983 -0.718550 -1.536334
H -4.328504 2.199930 2.185579
H -3.336919 3.181306 1.073379
H -5.120499 3.228972 0.956614
H 2.601012 -0.569037 1.938638
H 0.964512 0.953139 -1.782477
H 4.762001 0.665275 1.483391
H 3.087391 2.159911 -2.239560
H 4.999268 2.026402 -0.617220


