%chk=000186613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186613

0 1
S -3.078793 -2.123734 -0.541156
S 0.483629 2.321876 -3.023373
S -0.521871 2.200418 3.104649
S 3.063638 -2.129112 0.448688
P -1.542684 -1.046079 -0.258516
P 0.228387 1.183831 -1.525959
P -0.268280 1.138794 1.551958
P 1.532674 -1.030059 0.227674
N -1.130598 0.074372 -1.569213
N -1.565305 0.021883 1.137916
N -0.005469 -1.869933 -0.024244
N -0.034750 1.991589 0.030540
N 1.545703 0.082100 -1.133618
N 1.124503 0.045916 1.564094
C -2.230899 0.454975 -2.496757
C -2.878771 0.220970 1.807858
C 0.097004 -3.179284 -0.728966
C 0.536451 3.361093 0.155009
C 2.852033 0.326819 -1.802159
C 1.476331 -0.491864 2.909379
H -1.838327 0.803096 -3.473598
H -2.885475 1.248711 -2.091633
H -2.868892 -0.418339 -2.741362
H -3.459359 -0.721700 1.858988
H -3.502750 0.977930 1.297000
H -2.755524 0.542553 2.861350
H 0.254622 -3.086828 -1.819708
H -0.810687 -3.795718 -0.565792
H 0.927616 -3.787856 -0.315960
H 0.344008 3.959301 -0.758716
H 1.626115 3.367558 0.341679
H 0.049210 3.929918 0.972937
H 2.719406 0.639964 -2.856937
H 3.468184 -0.593215 -1.848275
H 3.448053 1.104506 -1.288965
H 2.507011 -0.901970 2.919287
H 0.792541 -1.284085 3.267118
H 1.488915 0.316004 3.669485


%chk=000186613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186613

0 1
S -3.174677 -2.241694 -0.518900
S 0.488411 2.378617 -3.160519
S -0.572118 2.318362 3.214962
S 3.214094 -2.165129 0.501976
P -1.520717 -1.044161 -0.225543
P 0.223978 1.158700 -1.517831
P -0.291238 1.148800 1.537200
P 1.539080 -0.986656 0.242618
N -1.175788 0.075769 -1.589108
N -1.626684 0.032416 1.181678
N 0.025457 -1.898056 -0.048545
N -0.011432 2.046037 0.030426
N 1.612717 0.104249 -1.151308
N 1.106931 0.033868 1.632981
C -2.286193 0.468700 -2.501785
C -2.942939 0.201549 1.854531
C 0.144753 -3.176774 -0.810002
C 0.621926 3.390698 0.153073
C 2.900565 0.329888 -1.860553
C 1.409586 -0.527550 2.983254
H -1.868135 0.686022 -3.497736
H -2.844193 1.352263 -2.139567
H -2.972377 -0.391121 -2.578547
H -3.396022 -0.790657 2.010215
H -3.635902 0.831309 1.267774
H -2.763413 0.675427 2.834005
H 0.226583 -3.015432 -1.901689
H -0.740804 -3.796025 -0.595535
H 1.044498 -3.699237 -0.445518
H 0.461601 3.928582 -0.795594
H 1.706165 3.334560 0.366571
H 0.119555 3.938183 0.966890
H 2.690841 0.515180 -2.926478
H 3.510029 -0.583968 -1.764299
H 3.463183 1.185539 -1.445214
H 2.416809 -0.973895 2.953319
H 0.676626 -1.294411 3.297530
H 1.406847 0.304448 3.705968


