%chk=000210606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210606

0 1
S -2.416156 0.951713 2.098642
O 2.693540 0.268421 -0.333093
O -2.296436 2.378329 1.945269
O -3.052931 0.442846 3.289961
O 2.017401 -1.311317 1.138863
N -0.866195 0.204170 1.952862
C -0.726608 -0.625490 0.730198
C -2.077784 -0.585996 0.023928
C -3.044055 0.216271 0.657271
C 0.383667 -0.043448 -0.169019
C -2.390256 -1.279803 -1.140442
C -4.320127 0.343022 0.133073
C 1.742606 -0.460362 0.321770
C 4.120371 0.041607 0.010576
C -3.684885 -1.153661 -1.671673
C -4.640737 -0.350580 -1.046280
C 4.844700 0.554736 -1.236505
C 4.413082 0.841225 1.267639
C 4.978251 -0.520821 -2.308365
H -0.462205 -1.688324 0.996521
H -0.303688 -0.096550 2.748958
H 0.321682 1.071969 -0.189375
H 0.257963 -0.354378 -1.226538
H -1.655559 -1.913680 -1.632544
H -5.071782 0.967486 0.621353
H 4.250466 -1.050388 0.175308
H -3.943193 -1.693330 -2.584691
H -5.640410 -0.261067 -1.470095
H 4.287433 1.426870 -1.643262
H 5.844340 0.941673 -0.956711
H 4.143098 1.898650 1.150967
H 3.836919 0.455137 2.121598
H 5.472761 0.793109 1.542394
H 3.996520 -0.909491 -2.607225
H 5.579929 -1.370048 -1.964268
H 5.459679 -0.122801 -3.209563


%chk=000210606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210606

0 1
S -2.518646 0.213913 2.488861
O 2.781438 0.337858 -0.490937
O -2.895589 1.680948 3.061669
O -2.855997 -1.078859 3.425096
O 1.963417 -0.569744 1.496987
N -0.779873 0.202500 1.816624
C -0.706192 -0.563680 0.540799
C -2.088749 -0.465166 -0.108042
C -3.135922 -0.065152 0.735078
C 0.412995 0.055762 -0.323016
C -2.410220 -0.772997 -1.448874
C -4.473309 0.064408 0.341193
C 1.772369 -0.100947 0.345883
C 4.201806 0.300922 0.043327
C -3.748855 -0.655881 -1.889568
C -4.775582 -0.236974 -1.007601
C 5.102591 0.162893 -1.191721
C 4.440976 1.576955 0.859626
C 4.907598 -1.164066 -1.953314
H -0.468045 -1.634514 0.722155
H -0.104600 -0.111522 2.533318
H 0.210310 1.131706 -0.471171
H 0.455525 -0.412392 -1.323848
H -1.631564 -1.099672 -2.146744
H -5.247599 0.389771 1.042536
H 4.272558 -0.592352 0.692961
H -3.994265 -0.891593 -2.930390
H -5.805138 -0.146151 -1.368167
H 4.915863 1.022148 -1.864385
H 6.151612 0.249952 -0.845779
H 4.316963 2.474361 0.228114
H 3.742696 1.639254 1.711047
H 5.470056 1.575793 1.263076
H 3.871026 -1.254118 -2.322733
H 5.115610 -2.033416 -1.301587
H 5.586139 -1.224250 -2.822970


