%chk=000216722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216722

1 1
O -1.559297 -1.131617 0.147781
N 1.544767 -0.425611 0.033833
C 0.457242 -0.166128 1.093487
C 1.606810 0.716446 -0.994486
C 1.236328 -1.716792 -0.696260
C 2.877051 -0.575682 0.736289
C -0.873901 0.052968 0.499298
C 1.943082 2.062297 -0.383592
C -1.667835 1.147541 0.254549
C -2.911015 0.649914 -0.273753
C -2.808248 -0.716630 -0.321191
H 0.752278 0.719876 1.712191
H 0.420826 -1.041259 1.795585
H 2.361645 0.448589 -1.772614
H 0.617521 0.769072 -1.515996
H 1.971037 -1.926952 -1.493796
H 1.232941 -2.586158 -0.011598
H 0.227324 -1.687657 -1.162361
H 3.144289 0.331873 1.310527
H 2.876676 -1.425905 1.444346
H 3.698358 -0.754550 0.015670
H 1.959351 2.839276 -1.172468
H 1.205918 2.408510 0.353259
H 2.936889 2.101211 0.083190
H -1.444165 2.187133 0.423321
H -3.753366 1.259247 -0.561382
H -3.438207 -1.532313 -0.618128


%chk=000216722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216722

1 1
O -1.656165 -1.187827 0.240214
N 1.564801 -0.404108 0.016757
C 0.416591 -0.141130 1.070281
C 1.675384 0.765992 -0.994577
C 1.257432 -1.680228 -0.764581
C 2.868751 -0.595477 0.782472
C -0.938847 0.010046 0.493367
C 2.121521 2.106379 -0.402389
C -1.757349 1.098035 0.211649
C -3.027508 0.576920 -0.238279
C -2.929898 -0.804368 -0.208036
H 0.711300 0.767766 1.615735
H 0.464742 -1.001585 1.760086
H 2.386063 0.423161 -1.767238
H 0.676833 0.850718 -1.455685
H 2.114685 -1.910200 -1.416061
H 1.085481 -2.506245 -0.058237
H 0.351637 -1.528270 -1.367497
H 3.041378 0.262792 1.447192
H 2.797734 -1.516473 1.381455
H 3.699987 -0.683923 0.066053
H 2.128057 2.846442 -1.221881
H 1.432411 2.492787 0.367579
H 3.143244 2.079304 0.010572
H -1.500104 2.149918 0.330973
H -3.901522 1.153344 -0.532551
H -3.612340 -1.617072 -0.441672


