%chk=000266516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266516

0 1
S 4.848698 -0.021930 -0.121339
S 1.200070 -4.083608 -0.256117
O 3.762311 1.229826 -0.410972
O 1.131281 -2.620043 0.602774
O 4.258260 -1.235268 -0.645638
O 5.201790 0.031732 1.269564
O 0.322583 -3.909868 -1.386645
O 0.915529 -5.122422 0.698010
O -5.860199 2.592677 -0.540651
N 0.309449 0.410593 0.669495
N -4.523226 1.079747 0.584320
C 1.536293 0.304599 -0.166828
C 0.130369 -0.738444 1.592673
C -0.837866 1.032694 0.103636
C 2.568448 1.299362 0.389632
C -0.168530 -2.078571 0.899569
C -2.132740 0.721997 0.565088
C -0.670985 2.057337 -0.859962
C -3.237373 1.445388 0.071991
C -1.782085 2.751910 -1.330082
C -3.070966 2.463387 -0.877575
C 6.125689 0.538991 -1.145986
C 2.860781 -4.039520 -0.697849
C -5.763836 1.672369 0.242697
C -6.938394 1.049159 0.947310
H 1.946603 -0.739138 -0.152374
H 1.337534 0.516292 -1.241304
H 1.074347 -0.847310 2.184176
H -0.671087 -0.495892 2.326258
H 2.245879 2.352251 0.264216
H 2.810714 1.121702 1.453545
H -0.695037 -2.777980 1.575094
H -0.736021 -1.958486 -0.044641
H -2.282441 -0.062452 1.297958
H 0.316056 2.317241 -1.229187
H -1.645233 3.542678 -2.070357
H -3.929693 3.021360 -1.258797
H -4.526672 0.309266 1.255961
H 5.876420 1.482829 -1.666309
H 6.391047 -0.168919 -1.948198
H 7.062920 0.750002 -0.604288
H 3.499461 -4.726113 -0.122429
H 3.332701 -3.031751 -0.545881
H 3.049285 -4.250360 -1.761362
H -7.867685 1.559683 0.640682
H -7.064089 -0.012654 0.697685
H -6.872958 1.139154 2.039236


%chk=000266516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266516

0 1
S 4.726812 -0.299835 -0.472384
S 1.534719 -4.425160 -0.062448
O 3.742079 1.288128 -0.662315
O 0.903048 -2.676076 -0.478218
O 4.587782 -1.254388 -1.774683
O 4.407613 -0.929663 0.995594
O 1.120544 -5.477162 -1.215525
O 1.111404 -4.711185 1.481670
O -6.047499 2.968036 0.059118
N 0.149085 0.246109 0.043118
N -4.604961 1.213456 0.670259
C 1.393207 0.388285 -0.728667
C 0.097827 -0.882242 0.981346
C -0.958191 1.092111 -0.179521
C 2.435380 1.239738 0.032372
C -0.246043 -2.249543 0.345963
C -2.251300 0.769321 0.322653
C -0.816953 2.310827 -0.914487
C -3.357192 1.635315 0.119681
C -1.929085 3.148701 -1.118220
C -3.208785 2.842764 -0.609308
C 6.411235 0.565816 -0.494578
C 3.368448 -3.975201 -0.205766
C -5.845567 1.854431 0.626333
C -6.972760 1.099728 1.332152
H 1.802096 -0.623885 -0.909116
H 1.189700 0.827613 -1.719343
H 1.082380 -0.989957 1.476421
H -0.634345 -0.663984 1.779729
H 2.147609 2.306400 0.075041
H 2.573000 0.867105 1.066701
H -0.414702 -2.990548 1.157269
H -1.135128 -2.195262 -0.307710
H -2.418343 -0.174668 0.854313
H 0.155479 2.614102 -1.313075
H -1.793215 4.077811 -1.683539
H -4.066742 3.497048 -0.762340
H -4.583109 0.319147 1.164842
H 6.439705 1.134679 -1.433223
H 7.164907 -0.232865 -0.459746
H 6.430337 1.214621 0.389903
H 3.569698 -3.241965 0.587489
H 3.495352 -3.526923 -1.200870
H 3.918434 -4.918738 -0.083369
H -7.383032 1.738412 2.133393
H -7.787440 0.919490 0.609953
H -6.666087 0.133553 1.769942


