%chk=000294070.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294070

0 1
S 0.102107 -0.772890 -1.215891
O 0.670295 1.135726 1.183802
O 4.896151 1.294475 2.426637
O 5.446642 1.391622 0.252525
O 5.167195 -3.192091 -1.962756
O -0.926391 3.965179 -2.417294
O 5.419868 -3.421655 0.250653
O 0.558503 -2.518251 -0.058392
O -0.426412 -3.682146 1.492683
O -5.976950 -0.638577 1.547918
O -5.150952 -2.390846 2.516251
N 2.561598 1.016040 -0.097509
N -0.701321 2.641428 -0.571416
N -0.410606 -2.788931 0.673897
N -3.699098 3.222972 -0.825912
N -5.086414 -1.446525 1.750146
C 3.327531 0.310444 0.950520
C 0.477540 1.929163 -1.108545
C 3.583711 -1.169929 0.624590
C 1.212809 1.311284 0.106309
C 0.093433 0.816904 -2.089342
C 4.357120 -1.401919 -0.674190
C 4.659957 1.051162 1.103890
C -1.350675 3.613252 -1.330770
C -1.459968 -0.861853 -0.426225
C 5.019089 -2.747871 -0.666865
C -1.577618 -1.930174 0.490978
C -2.599916 4.217765 -0.682997
C -2.545618 -0.002198 -0.632994
C -2.760615 -2.139700 1.216772
C -3.825393 -1.263045 1.001016
C -3.721576 -0.193035 0.080204
H 2.751083 0.373699 1.928481
H 1.127486 2.686420 -1.637186
H 2.602992 -1.703251 0.574694
H 4.122519 -1.641794 1.480087
H 3.001760 1.085679 -1.012578
H -0.861304 1.037606 -2.603933
H 0.836961 0.727923 -2.907342
H 3.689253 -1.313982 -1.559418
H 5.148293 -0.625114 -0.827406
H -1.099478 2.276585 0.301065
H -2.800245 5.197854 -1.175869
H -2.420096 4.441716 0.392513
H -2.481964 0.832689 -1.341895
H -2.840342 -2.970680 1.936364
H -4.576851 0.483500 -0.059114
H 5.764023 1.759860 2.591791
H -4.450302 3.440727 -0.174208
H -4.095406 3.276736 -1.763407
H 5.616991 -4.077852 -2.017331


%chk=000294070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294070

0 1
S 0.375331 -0.864197 -1.633089
O 1.705183 2.380897 1.139826
O 6.560975 1.287456 -0.052419
O 5.205983 0.754785 -1.862829
O 2.919314 -2.831588 0.241204
O -2.008375 2.908730 -1.915842
O 1.807545 -1.268427 1.555218
O 0.387905 -3.330362 -0.561230
O -1.048372 -4.070107 1.049653
O -6.361235 -1.081399 -0.497552
O -5.738496 -2.992485 0.590024
N 2.936837 1.300342 -0.492285
N -0.611777 2.183951 -0.187703
N -0.753875 -3.295201 0.068946
N -2.279806 2.910339 1.776450
N -5.475507 -1.937566 -0.105915
C 4.176811 1.360400 0.300254
C 0.585688 2.010990 -1.006127
C 4.232641 0.410279 1.538868
C 1.783274 1.877915 -0.023411
C 0.438338 0.965282 -2.139992
C 4.253251 -1.100355 1.229691
C 5.329284 1.102894 -0.665189
C -1.776373 2.709339 -0.674479
C -1.357396 -1.175331 -1.193170
C 2.865522 -1.701378 1.037058
C -1.735597 -2.316345 -0.407577
C -2.824128 3.021018 0.415262
C -2.410653 -0.314926 -1.616453
C -3.074304 -2.564164 -0.035982
C -4.067482 -1.682910 -0.478669
C -3.746795 -0.557955 -1.277792
H 4.279675 2.387685 0.703722
H 0.762768 2.964508 -1.560462
H 3.357290 0.647730 2.167876
H 5.142732 0.685225 2.100656
H 3.015943 0.897118 -1.430791
H -0.433193 1.239615 -2.753770
H 1.320443 0.987867 -2.805888
H 4.878964 -1.360612 0.357695
H 4.701226 -1.631882 2.092650
H -0.530377 2.171157 0.846073
H -3.658401 2.307668 0.277378
H -3.236129 4.021998 0.177629
H -2.195315 0.569770 -2.219711
H -3.321931 -3.431116 0.582128
H -4.544083 0.104086 -1.625707
H 7.294963 1.100896 -0.698546
H -1.961532 3.781588 2.204071
H -2.792338 2.310473 2.423115
H 1.994983 -3.209595 0.080133


