%chk=000234101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234101

0 1
S 1.885666 -2.120710 0.000125
C -0.780573 -1.244748 0.000106
C -1.671331 -0.117507 0.000046
C -1.602551 -2.504940 0.000213
C -3.043065 -0.521861 0.000016
C -3.092923 -2.029635 -0.000069
C 0.553183 -0.977047 0.000086
C -1.249365 1.219569 0.000039
C 1.031283 0.391854 0.000042
C -4.023928 0.442088 0.000044
C 0.162742 1.461002 0.000028
C 2.499596 0.441190 0.000026
C -2.289784 2.203525 0.000053
C -3.611719 1.820057 0.000069
C 3.098383 -0.841711 0.000068
C -5.474534 0.094364 0.000182
C 3.320092 1.571494 -0.000024
C 4.473137 -1.018917 0.000064
C 4.711108 1.404663 -0.000032
C 5.282053 0.126784 0.000015
H -1.382254 -3.127399 -0.885747
H -1.382498 -3.126967 0.886564
H -3.630044 -2.410343 0.886147
H -3.629588 -2.410164 -0.886667
H 0.525878 2.485100 0.000007
H -2.015637 3.256285 0.000053
H -4.393124 2.580536 0.000107
H -6.124613 0.978571 -0.003054
H -5.739350 -0.504485 -0.883448
H -5.740363 -0.498793 0.887359
H 2.885886 2.569001 -0.000058
H 4.917782 -2.012049 0.000094
H 5.356048 2.282307 -0.000068
H 6.365806 0.018385 0.000011


%chk=000234101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234101

0 1
S 1.907448 -2.203818 0.000060
C -0.802895 -1.242843 0.000065
C -1.685136 -0.124212 0.000063
C -1.620016 -2.529570 0.000148
C -3.053152 -0.522993 0.000056
C -3.123490 -2.049552 -0.000031
C 0.561875 -0.977352 0.000047
C -1.252459 1.239762 0.000048
C 1.054011 0.392361 0.000030
C -4.059463 0.451621 0.000044
C 0.159102 1.476811 0.000030
C 2.521876 0.441935 0.000029
C -2.295264 2.229239 0.000019
C -3.640003 1.834714 -0.000005
C 3.129371 -0.852112 0.000044
C -5.533474 0.088282 0.000259
C 3.362044 1.583172 0.000017
C 4.527709 -1.020234 0.000049
C 4.764090 1.428761 0.000023
C 5.344750 0.133663 0.000039
H -1.393295 -3.152557 -0.886172
H -1.393470 -3.152249 0.886734
H -3.667320 -2.430498 0.885884
H -3.667023 -2.430319 -0.886218
H 0.537212 2.505940 0.000017
H -2.033946 3.294381 -0.000045
H -4.423125 2.603536 -0.000077
H -6.172238 0.988662 -0.003134
H -5.802635 -0.517960 -0.886940
H -5.803845 -0.511969 0.891190
H 2.921790 2.586742 0.000004
H 4.978386 -2.018285 0.000062
H 5.409195 2.314208 0.000015
H 6.434791 0.022230 0.000044


