%chk=000278121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278121

0 1
S -2.413288 0.410948 0.782888
O 2.097944 0.698686 -2.120808
O 3.681859 1.592221 0.111822
O -1.034439 1.070610 -2.147389
O -0.746548 2.882804 -0.857681
C -0.862309 -1.807642 0.748515
C -2.060284 -1.205892 -0.011514
C -0.575908 -3.231580 0.219256
C -3.306600 -2.080445 0.098372
C -1.820428 -4.121390 0.320885
C -3.013244 -3.498384 -0.416994
C 0.368312 -0.938365 0.603876
C 0.799850 -0.538942 -0.668873
C 1.072855 -0.510684 1.735365
C -2.758335 1.508572 -0.614598
C 1.876316 0.344251 -0.804090
C 2.184062 0.330793 1.607817
C 2.588904 0.771697 0.345594
C -1.434823 1.937770 -1.154879
C 3.072065 1.740499 -2.385219
C 4.151323 2.385591 1.229857
H -1.130587 -1.895601 1.833552
H -1.793057 -1.038079 -1.084213
H 0.260428 -3.675176 0.791814
H -0.229229 -3.183435 -0.831129
H -4.143491 -1.637690 -0.475338
H -3.658761 -2.134079 1.148631
H -2.081174 -4.286072 1.384231
H -1.599939 -5.122081 -0.096568
H -2.808677 -3.469132 -1.504681
H -3.909656 -4.134161 -0.292107
H 0.283537 -0.880264 -1.567957
H 0.754180 -0.819419 2.729054
H -3.329556 2.380732 -0.225918
H -3.390793 1.021746 -1.383356
H 2.721652 0.643395 2.499659
H 3.016438 1.833608 -3.474729
H 4.065561 1.412541 -2.056776
H 2.778675 2.665091 -1.877307
H -0.089553 1.245888 -2.454816
H 4.612859 1.738500 1.980815
H 3.334597 2.980287 1.649747
H 4.900666 3.027082 0.750090


%chk=000278121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278121

0 1
S -2.511003 0.525913 0.687799
O 1.953454 0.862217 -2.119143
O 3.700149 1.655036 0.125000
O -0.822253 1.063239 -2.448546
O -0.541831 2.866860 -1.006743
C -0.878842 -1.833739 0.802559
C -2.099578 -1.239769 0.034156
C -0.622803 -3.294451 0.309146
C -3.353600 -2.131411 0.152505
C -1.876497 -4.188326 0.433152
C -3.070036 -3.575152 -0.332728
C 0.374511 -0.973541 0.670787
C 0.795164 -0.543728 -0.606377
C 1.113132 -0.532089 1.790262
C -2.621534 1.538183 -0.925527
C 1.828642 0.395611 -0.780830
C 2.228585 0.317851 1.625877
C 2.602695 0.799602 0.347649
C -1.245800 1.921584 -1.435434
C 2.641482 2.145884 -2.410140
C 4.434733 2.127855 1.300040
H -1.153990 -1.887625 1.877277
H -1.836479 -1.091926 -1.029566
H 0.220575 -3.719639 0.885919
H -0.295243 -3.260772 -0.750254
H -4.182069 -1.681310 -0.425823
H -3.681594 -2.154789 1.211341
H -2.146545 -4.299568 1.503764
H -1.654229 -5.203775 0.051923
H -2.841230 -3.561482 -1.418408
H -3.977028 -4.196395 -0.203472
H 0.261418 -0.870858 -1.502239
H 0.809165 -0.832028 2.799648
H -3.180614 2.440875 -0.635339
H -3.182637 0.958756 -1.673158
H 2.794718 0.628714 2.508906
H 2.481582 2.297177 -3.489667
H 3.712566 2.071557 -2.178045
H 2.175605 2.961685 -1.831553
H 0.182390 1.134841 -2.580697
H 4.909329 1.287158 1.842570
H 3.774588 2.690851 1.987723
H 5.212355 2.795722 0.900583


