%chk=000198933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198933

1 1
O -1.425069 -1.325569 -2.596403
O -2.876091 0.341715 -2.067562
N 2.594334 -0.025084 -0.626699
N -0.100957 -1.275740 -0.751935
N -0.450596 -2.059813 -1.892014
C 2.396322 -1.498020 -0.560656
C 1.020851 -1.765371 0.095693
C 2.665560 0.478118 -2.043022
C 3.777226 0.440380 0.176125
C -0.972459 -0.293473 -0.548946
C -1.104045 0.633991 0.552111
C 2.205553 1.932872 -2.090192
C 3.589446 0.164681 1.664587
C -1.932417 -0.283104 -1.735703
C -2.401046 0.960620 1.013227
C 0.024924 1.240605 1.139857
C -2.552441 1.852517 2.071491
C -0.143894 2.139541 2.191368
C -1.427127 2.442655 2.663430
H 2.471502 -2.003709 -1.546068
H 3.166126 -2.003477 0.076486
H 0.878743 -2.860722 0.284147
H 0.965536 -1.252271 1.092149
H 3.690790 0.390700 -2.471520
H 2.008318 -0.138243 -2.690990
H 4.732386 -0.008131 -0.178614
H 3.868955 1.541480 0.013937
H 0.332718 -2.206051 -2.568540
H 1.228063 2.077652 -1.616586
H 2.908100 2.606030 -1.579350
H 2.130552 2.286741 -3.127889
H 2.645061 0.570622 2.045613
H 3.623489 -0.902342 1.909780
H 4.396006 0.641421 2.243632
H -3.284944 0.515413 0.548249
H 1.032892 1.035945 0.751905
H -3.553858 2.099606 2.438041
H 0.728261 2.618212 2.644864
H -1.553571 3.147903 3.491495


%chk=000198933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198933

1 1
O -1.681429 -1.751142 -2.473012
O -3.215549 -0.047715 -1.920188
N 2.695438 0.033345 -0.558253
N -0.179216 -1.377065 -0.760210
N -0.519384 -2.308222 -1.807113
C 2.377997 -1.395266 -0.559410
C 0.982438 -1.762051 0.062025
C 2.526345 0.683577 -1.897785
C 3.953725 0.394476 0.167405
C -1.130109 -0.426979 -0.596700
C -1.218408 0.580262 0.443956
C 2.448123 2.219789 -1.858480
C 3.895996 0.102473 1.678026
C -2.162222 -0.620050 -1.657177
C -2.518762 0.999943 0.877129
C -0.052025 1.165478 1.035687
C -2.639290 1.943640 1.912008
C -0.193370 2.108512 2.067425
C -1.482278 2.496245 2.513844
H 2.443898 -1.833665 -1.580842
H 3.106700 -1.951751 0.057030
H 0.922607 -2.858767 0.182870
H 0.869219 -1.284184 1.046565
H 3.346200 0.368456 -2.585790
H 1.583497 0.294571 -2.331359
H 4.827931 -0.126765 -0.286954
H 4.116130 1.474676 0.022098
H 0.238906 -2.387393 -2.518675
H 1.668848 2.565746 -1.157359
H 3.406370 2.685198 -1.572835
H 2.194757 2.598706 -2.864205
H 3.064809 0.648990 2.158546
H 3.782193 -0.973705 1.904359
H 4.837223 0.430470 2.152654
H -3.418138 0.577858 0.420725
H 0.944762 0.928968 0.632536
H -3.633272 2.251832 2.249196
H 0.696628 2.568926 2.507833
H -1.584085 3.240880 3.309926


