%chk=000262388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262388

0 1
S -0.495045 -1.123556 1.298118
S -3.903013 1.386526 0.675461
O -0.827701 -2.531830 1.280925
O -0.667073 -0.343765 2.496873
O 5.802276 1.314108 0.470185
N -1.499614 -0.413296 0.035536
N 5.068217 -0.542838 -0.689230
C -1.352571 0.989154 -0.261510
C -2.808836 -0.989865 -0.156052
C 1.106833 -0.922047 0.713098
C -2.377208 1.918083 -0.001116
C -3.985504 -0.253214 0.062856
C -0.163355 1.438454 -0.863529
C -2.904176 -2.323340 -0.595624
C -2.207500 3.274783 -0.273275
C -5.241097 -0.817714 -0.160995
C 1.927597 0.086717 1.238031
C 1.615609 -1.798461 -0.254296
C 0.008934 2.800170 -1.124599
C -4.162869 -2.890813 -0.802639
C -1.000234 3.719695 -0.821544
C -5.328317 -2.144686 -0.591641
C 3.741508 -0.635982 -0.188347
C 3.236392 0.240129 0.792125
C 2.921102 -1.664121 -0.714168
C 6.042706 0.432615 -0.322906
C 7.359549 0.247302 -1.017329
H 0.617858 0.732791 -1.142787
H -2.001798 -2.921296 -0.737976
H 1.536433 0.763024 2.011070
H 0.984136 -2.602647 -0.650640
H -3.007615 3.986441 -0.062249
H -6.148093 -0.234036 0.001784
H 0.939470 3.145435 -1.575095
H -4.235037 -3.927860 -1.130247
H -0.852725 4.779077 -1.022458
H -6.303185 -2.597775 -0.760385
H 3.868762 1.034979 1.206623
H 3.300728 -2.351850 -1.465464
H 5.336392 -1.255071 -1.374550
H 7.831488 -0.717289 -0.783257
H 8.067169 1.031086 -0.691105
H 7.280808 0.331084 -2.110072


%chk=000262388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262388

0 1
S -0.490885 -1.064480 1.159880
S -4.384150 1.507964 0.291688
O -0.837493 -2.687890 1.128651
O -0.576916 -0.225936 2.586011
O 6.136572 1.268259 0.396004
N -1.816195 -0.157457 -0.809673
N 5.349091 -0.711645 -0.593175
C -1.722240 1.233572 -0.673166
C -3.024882 -0.828237 -0.611525
C 1.317810 -0.939787 0.627108
C -2.750583 2.116534 -0.202324
C -4.255195 -0.249554 -0.141714
C -0.472154 1.817022 -1.058991
C -3.017606 -2.232854 -0.899776
C -2.528016 3.509890 -0.111731
C -5.416553 -1.035658 0.009256
C 2.091304 0.130008 1.108158
C 1.839728 -1.921660 -0.233401
C -0.250752 3.196330 -0.965316
C -4.172137 -3.011900 -0.743947
C -1.282749 4.049047 -0.486551
C -5.375816 -2.413536 -0.290124
C 3.995789 -0.742673 -0.156552
C 3.442839 0.234610 0.717129
C 3.188402 -1.819787 -0.621130
C 6.336833 0.241132 -0.314707
C 7.699891 -0.057130 -0.934785
H 0.299627 1.135057 -1.428400
H -2.074980 -2.666563 -1.240083
H 1.648406 0.853256 1.800930
H 1.213625 -2.757540 -0.560144
H -3.324673 4.168084 0.252187
H -6.346747 -0.577840 0.363285
H 0.715450 3.617067 -1.261030
H -4.140076 -4.083530 -0.962369
H -1.115482 5.128326 -0.409777
H -6.280421 -3.018112 -0.166666
H 4.072597 1.049962 1.076271
H 3.618874 -2.582539 -1.282546
H 5.634100 -1.493353 -1.187284
H 8.435817 -0.206854 -0.125467
H 8.028476 0.822197 -1.514062
H 7.712868 -0.943499 -1.592541


