%chk=000195818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195818

0 1
S 2.110698 -1.462000 -0.652513
S -3.625880 -2.276489 -1.431239
N 0.594529 1.144930 -1.497838
N -1.769408 0.023377 -0.436335
C 2.859952 -0.014343 -1.530286
C 2.063756 1.279679 -1.276284
C -2.807909 -2.147945 0.231237
C -2.644472 -0.651644 0.565738
C 2.816762 -0.442320 -2.990612
C 4.287842 0.146955 -1.026574
C -0.235289 1.925044 -0.639040
C -1.483777 1.415658 -0.158719
C -1.487144 -2.874434 0.063999
C -3.707671 -2.819878 1.258894
C 0.111020 3.256131 -0.340728
C -2.328817 2.247317 0.583093
C 1.591205 -0.841704 0.989119
C -0.743940 4.063993 0.412945
C -1.959996 3.564632 0.877015
C 1.647403 -1.975547 1.858524
C 1.688327 -2.933974 2.589205
H 2.294352 1.672227 -0.259288
H 2.422973 2.061194 -1.991655
H -2.153554 -0.556946 1.563708
H -3.643467 -0.171037 0.665245
H 0.296570 0.160312 -1.573274
H 1.787757 -0.532168 -3.369463
H 3.321315 0.291942 -3.632981
H 3.311762 -1.407987 -3.162338
H 4.814628 0.953843 -1.552001
H 4.877037 -0.768818 -1.183384
H 4.338298 0.367243 0.046401
H -2.148990 -0.084612 -1.390832
H -0.846422 -2.406786 -0.702414
H -0.899044 -2.857136 0.992778
H -1.616990 -3.926617 -0.218552
H -3.223603 -2.859295 2.244862
H -3.928765 -3.861523 0.983693
H -4.667413 -2.309937 1.394535
H 1.043261 3.672927 -0.714773
H -3.286952 1.873684 0.941064
H -4.876689 -1.887737 -1.107559
H 0.553140 -0.430675 0.911085
H 2.247536 -0.017872 1.338907
H -0.456128 5.090877 0.632725
H -2.625845 4.194814 1.461006
H 1.730642 -3.754753 3.213301


%chk=000195818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195818

0 1
S 2.642054 -1.585140 -0.431816
S -2.609964 -2.567862 -1.787993
N 0.646363 0.831304 -0.655126
N -1.881228 -0.016228 -0.101333
C 2.787454 -0.037064 -1.600763
C 2.025631 1.167529 -0.990330
C -3.201023 -2.133013 0.012828
C -3.190263 -0.592453 0.190539
C 2.137683 -0.519008 -2.916978
C 4.269319 0.322700 -1.814152
C -0.259364 1.795002 -0.165117
C -1.595623 1.346256 0.136046
C -2.187564 -2.832121 0.942664
C -4.626577 -2.678662 0.215367
C 0.072401 3.158104 0.021829
C -2.530927 2.265605 0.666711
C 3.376019 -0.902248 1.202735
C -0.883109 4.070888 0.534147
C -2.176041 3.622508 0.871740
C 3.335965 -1.937249 2.232596
C 3.308074 -2.804810 3.108375
H 2.595914 1.555972 -0.111212
H 2.031192 1.982251 -1.743798
H -3.452819 -0.374380 1.246016
H -4.001670 -0.152446 -0.440111
H 0.530128 -0.125771 -0.291916
H 1.069813 -0.756598 -2.777547
H 2.212219 0.282978 -3.675805
H 2.654801 -1.412743 -3.308840
H 4.353012 1.159248 -2.536002
H 4.824588 -0.540363 -2.218537
H 4.760939 0.644105 -0.878015
H -1.439787 -0.425579 -0.937376
H -1.169188 -2.432382 0.804379
H -2.479656 -2.659179 1.995705
H -2.172636 -3.921099 0.762064
H -4.964650 -2.474051 1.250618
H -4.652848 -3.769128 0.051906
H -5.347187 -2.206822 -0.478090
H 1.083105 3.510595 -0.210102
H -3.548326 1.933956 0.899443
H -3.657074 -1.927012 -2.435108
H 2.777547 -0.026191 1.506450
H 4.415113 -0.587517 1.006791
H -0.606733 5.121572 0.675473
H -2.915299 4.320145 1.280402
H 3.282826 -3.560996 3.871637


