%chk=000230552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230552

0 1
S -3.097029 -0.727229 1.047201
S -5.501202 1.607448 -1.872049
O -3.617947 -2.051385 0.849798
O -3.318201 0.010874 2.258530
O 3.442565 1.133306 0.786642
O 7.618027 -0.250696 -1.481003
N 2.698211 -0.780339 -0.266286
N -3.645078 0.274097 -0.300844
N -5.987792 0.200665 0.278124
N 8.506836 1.351204 -0.152811
C -1.418943 -0.711807 0.657610
C 1.318528 -0.720129 0.070916
C -0.582937 0.287932 1.172705
C -0.874809 -1.729735 -0.136979
C 0.777252 0.297398 0.881039
C 0.481843 -1.742470 -0.440483
C 5.078820 -0.204419 -0.390806
C 3.701152 0.155237 0.120334
C 6.117441 0.802744 0.104175
C -4.974364 0.585948 -0.486986
C 7.443954 0.564107 -0.590378
C -7.154661 1.465155 -1.333749
C -7.214506 0.701197 -0.207101
H -1.000093 1.070525 1.820510
H -1.522510 -2.530248 -0.518755
H 1.421506 1.087224 1.286329
H 0.887991 -2.539596 -1.059046
H 5.095307 -0.236351 -1.507087
H 5.372640 -1.231314 -0.078454
H 2.979616 -1.580701 -0.842140
H 5.761628 1.841945 -0.083443
H 6.223335 0.733654 1.208061
H -2.984266 0.660962 -0.983791
H -7.957195 1.940517 -1.866192
H -8.106005 0.436229 0.358050
H 8.428964 2.047944 0.564166
H 9.414425 1.247306 -0.582908


%chk=000230552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230552

0 1
S -3.210493 0.611193 1.874857
S -6.762506 0.988176 -0.640939
O -3.942106 -0.819858 2.118398
O -3.163973 1.768644 3.021871
O 3.729061 1.213585 0.937426
O 7.064139 0.161427 -2.347420
N 2.412731 -0.378479 -0.177847
N -4.091212 1.528291 0.269392
N -4.481291 -0.349689 -1.171729
N 8.565736 0.039486 -0.585923
C -1.477611 0.331264 1.233996
C 1.116829 -0.097891 0.325377
C -0.449309 1.142496 1.737968
C -1.273170 -0.681261 0.280372
C 0.866899 0.923291 1.284743
C 0.041402 -0.891131 -0.169781
C 4.811850 -0.288816 -0.686013
C 3.626458 0.258401 0.113857
C 6.158487 0.095105 -0.054051
C -4.900096 0.719347 -0.488939
C 7.282050 0.093207 -1.100709
C -6.780447 -0.425167 -1.731290
C -5.513335 -0.987549 -1.844941
H -0.670208 1.918703 2.477471
H -2.111877 -1.265765 -0.109084
H 1.697251 1.525662 1.655551
H 0.232728 -1.670111 -0.917808
H 4.791834 0.137800 -1.710521
H 4.730837 -1.385975 -0.808581
H 2.463800 -1.135540 -0.864658
H 6.062034 1.115457 0.367265
H 6.410683 -0.570345 0.792458
H -4.541250 2.355468 0.698653
H -7.697247 -0.725098 -2.234279
H -5.285206 -1.868840 -2.445594
H 8.745754 -0.004411 0.415616
H 9.353275 0.086121 -1.232268


