%chk=000273726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273726

0 1
S 2.922822 -1.925357 -0.424732
O 0.881240 2.117236 0.475001
O 2.065965 -0.435859 -0.603224
O -1.458792 0.002053 -0.713243
O -0.259873 1.887060 -3.004555
O 1.730694 0.566271 1.877188
O -0.322467 4.449260 -2.011358
O 2.204155 -2.611888 0.619396
O 2.951683 -2.496533 -1.742094
O -2.563446 0.396846 -2.649776
O -8.354097 -0.763040 1.153318
O -7.130748 -1.709670 2.668270
N -7.284226 -1.121966 1.612064
C -0.121001 0.056729 -1.318910
C 0.749532 -0.341076 -0.094582
C 0.309379 1.460771 -1.779506
C 0.052706 2.487242 -0.650300
C 0.655025 0.781005 0.981957
C 0.539461 3.901070 -1.016579
C -2.591895 0.079653 -1.482365
C 1.715838 1.430666 3.041171
C 4.450393 -1.339230 0.043507
C -3.788521 -0.240753 -0.655850
C 4.556134 -0.203564 0.856538
C 5.612997 -1.990271 -0.399667
C -5.044817 0.159228 -1.138359
C -3.668099 -0.932073 0.558241
C 5.811301 0.267610 1.243226
C 6.865803 -1.525433 -0.014051
C 6.975134 -0.390478 0.815025
C -6.192397 -0.128017 -0.397375
C -4.812394 -1.223513 1.303424
C -6.061680 -0.815474 0.816983
C 8.322932 0.101460 1.218899
H -0.082367 -0.682940 -2.146044
H 0.409072 -1.308011 0.358390
H 1.411575 1.420179 -2.019364
H -1.012572 2.496594 -0.336696
H -0.329968 0.771890 1.495130
H 1.584362 3.897787 -1.373809
H 0.442835 4.595020 -0.160384
H -1.219378 1.627139 -3.089252
H -0.287763 3.881652 -2.832408
H 1.783169 2.477852 2.726489
H 0.817932 1.246208 3.636809
H 2.617086 1.114927 3.578998
H 3.645703 0.330268 1.182517
H 5.538593 -2.862839 -1.058135
H -5.120178 0.689228 -2.094627
H -2.680757 -1.240951 0.916155
H 5.883362 1.152375 1.873711
H 7.765028 -2.034872 -0.357073
H -7.184653 0.174762 -0.753954
H -4.743400 -1.763845 2.255420
H 8.282347 0.946220 1.920242
H 8.901425 0.440053 0.344665
H 8.914106 -0.689861 1.704835


%chk=000273726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273726

0 1
S 2.875299 -1.913250 -0.517897
O 1.143005 2.467691 0.328185
O 2.158879 -0.134528 -0.731272
O -1.509466 0.237936 -0.559238
O -0.720994 2.154447 -2.902565
O 1.861135 0.887071 1.924125
O -0.689225 4.746150 -1.991369
O 1.975781 -2.591614 0.653473
O 2.960337 -2.629426 -1.963894
O -2.593939 0.197528 -2.618959
O -8.499723 -1.557104 0.794190
O -7.327046 -1.668145 2.748326
N -7.411974 -1.456643 1.479039
C -0.154572 0.346976 -1.231394
C 0.851065 0.017859 -0.103589
C 0.140717 1.750537 -1.790522
C 0.102265 2.819974 -0.669223
C 0.861654 1.158259 0.943728
C 0.424066 4.227998 -1.199608
C -2.621029 0.047093 -1.365177
C 1.823550 1.826902 3.061448
C 4.590903 -1.428628 0.046716
C -3.837564 -0.342110 -0.598739
C 4.714783 -0.546716 1.130810
C 5.675095 -1.987455 -0.651167
C -5.059439 -0.465737 -1.311356
C -3.793654 -0.587173 0.798812
C 6.027006 -0.225704 1.545223
C 6.970002 -1.647185 -0.208152
C 7.165535 -0.768836 0.892641
C -6.237111 -0.831671 -0.635651
C -4.965502 -0.954085 1.485711
C -6.167670 -1.068711 0.754554
C 8.568447 -0.410758 1.345291
H -0.115967 -0.416235 -2.029958
H 0.562489 -0.925052 0.409113
H 1.185722 1.696841 -2.162113
H -0.901655 2.835422 -0.191372
H -0.153478 1.212294 1.412112
H 1.370207 4.200126 -1.781754
H 0.553103 4.918489 -0.350002
H -1.404543 1.445167 -3.091430
H -0.913605 4.032716 -2.656172
H 2.056034 2.850747 2.723778
H 0.826985 1.807977 3.546943
H 2.585571 1.468474 3.769855
H 3.829524 -0.101824 1.599849
H 5.512580 -2.652613 -1.504748
H -5.064408 -0.273636 -2.388404
H -2.844695 -0.494756 1.332385
H 6.164892 0.466114 2.383493
H 7.839041 -2.068152 -0.726473
H -7.193308 -0.935380 -1.154253
H -4.967904 -1.152565 2.560267
H 8.556235 0.233600 2.239909
H 9.116718 0.126995 0.549292
H 9.154145 -1.316891 1.586483


