%chk=000270989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270989

0 1
S 3.704427 1.251565 -0.862562
O 4.178200 2.564361 -0.468839
O 4.190050 0.653579 -2.075199
N 4.291430 0.314689 0.505638
N 4.700844 -1.670961 1.745733
N -2.223579 1.257040 -0.644889
N 3.151681 -1.654624 -0.160885
N -2.903134 0.269444 -0.257726
N -6.541000 1.279716 -0.739655
N -4.695759 2.569530 -1.280250
N -8.471108 0.099215 -0.175651
C 1.999250 1.195582 -0.767017
C 1.282223 0.231302 -1.486644
C 1.316925 2.132307 0.025632
C -0.786475 1.139755 -0.627305
C -0.111540 0.196123 -1.419885
C -0.071407 2.112750 0.102490
C 4.048635 -1.037349 0.697770
C 4.444446 -2.993914 1.925612
C -4.302764 0.328888 -0.288742
C 3.550250 -3.690081 1.080939
C 2.927563 -2.977212 0.052131
C 5.147297 -3.677058 3.047732
C -5.160205 1.389281 -0.765077
C -4.934089 -0.840592 0.225815
C -6.303218 -0.956890 0.263605
C -7.091061 0.136630 -0.226242
H 1.817280 -0.504213 -2.103220
H 1.880543 2.891506 0.581795
H 4.960883 0.748898 1.166677
H -0.671787 -0.557485 -1.971367
H -0.606052 2.837198 0.715204
H 3.357223 -4.745885 1.228176
H 2.220933 -3.458856 -0.636039
H 5.791914 -2.984864 3.617028
H 4.433312 -4.116715 3.759297
H 5.792321 -4.488102 2.677745
H -4.297040 -1.653110 0.593568
H -6.782572 -1.843899 0.660066
H -5.343902 3.274111 -1.601029
H -3.704536 2.766475 -1.353157
H -9.012903 0.848152 -0.580870
H -8.955596 -0.746790 0.061594


%chk=000270989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270989

0 1
S 3.567105 0.884772 -1.089228
O 4.157688 2.396081 -0.965542
O 3.941017 -0.059808 -2.348254
N 4.207885 0.159811 0.496773
N 5.086460 -1.592059 1.758527
N -2.460406 1.302007 -0.454679
N 3.230028 -1.973177 0.199349
N -3.196628 0.256368 -0.831533
N -6.683780 1.522531 -0.088209
N -4.636906 2.622620 0.221524
N -8.742432 0.484492 -0.372657
C 1.706072 0.946781 -0.867938
C 0.936605 -0.155761 -1.282331
C 1.165007 2.132994 -0.344179
C -1.056377 1.116784 -0.621471
C -0.460198 -0.063793 -1.156908
C -0.235835 2.208405 -0.221880
C 4.172268 -1.191512 0.814039
C 5.044634 -2.902828 2.142253
C -4.573764 0.365558 -0.697106
C 4.109616 -3.799623 1.554279
C 3.228047 -3.282203 0.583011
C 6.035001 -3.348334 3.192366
C -5.319587 1.514778 -0.182006
C -5.344620 -0.767370 -1.106840
C -6.733250 -0.764743 -1.014150
C -7.371280 0.417569 -0.491250
H 1.428617 -1.049318 -1.675166
H 1.817333 2.966199 -0.065415
H 4.971465 0.726497 0.887028
H -1.111072 -0.887048 -1.461790
H -0.712758 3.108527 0.178447
H 4.077663 -4.853575 1.841363
H 2.487825 -3.922496 0.090918
H 6.648370 -2.493311 3.514320
H 5.516021 -3.770003 4.072870
H 6.701974 -4.136656 2.796795
H -4.798821 -1.633001 -1.495396
H -7.329572 -1.626991 -1.326140
H -5.161004 3.421482 0.578331
H -3.597162 2.559746 0.127522
H -9.152933 1.338503 0.000414
H -9.340411 -0.289400 -0.648065


