%chk=000258840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258840

0 1
S -2.966002 1.149550 -0.309178
S 5.169451 -1.612183 0.259883
O -2.135791 0.117177 0.876279
O 0.222775 1.262632 1.507838
O -2.193733 -2.209893 -0.430497
O -2.844687 2.484403 0.198050
O -2.445974 0.801082 -1.599850
N 2.773593 -0.362616 0.766929
N -0.958620 -0.391441 0.377276
N 0.088974 -2.410020 -0.460359
N 2.582225 -2.386717 -0.308134
C 1.398932 -0.592400 0.545959
C 3.331616 0.863834 1.372247
C 1.319153 -1.850434 -0.115437
C 3.439533 -1.448934 0.227291
C 0.258547 0.217224 0.908793
C 3.593767 1.919351 0.324302
C -1.118547 -1.712103 -0.172808
C 2.570341 2.809502 -0.031670
C 4.853202 2.017813 -0.282918
C -4.544087 0.537453 -0.039834
C 2.808252 3.793354 -0.994683
C 5.085038 3.005301 -1.244746
C 4.064412 3.892477 -1.601959
C 5.422409 -3.338830 -0.179812
C -5.497411 1.339287 0.603756
C -4.877693 -0.756062 -0.457054
C -6.787041 0.851256 0.817576
C -6.170972 -1.243971 -0.241695
C -7.122882 -0.441432 0.393333
H 4.260636 0.606662 1.935314
H 2.595774 1.247039 2.130990
H 0.043366 -3.314498 -0.938574
H 1.585490 2.734933 0.441887
H 5.652381 1.329204 -0.013594
H 2.009954 4.481484 -1.272697
H 6.062518 3.081166 -1.718201
H 4.246898 4.659121 -2.353319
H 4.924178 -3.596103 -1.128411
H 5.032761 -4.020630 0.588162
H 6.501602 -3.506400 -0.293347
H -5.230881 2.348959 0.939178
H -4.126696 -1.396516 -0.944766
H -7.530030 1.472650 1.315592
H -6.429865 -2.251535 -0.566022
H -8.131366 -0.822498 0.562231


%chk=000258840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258840

0 1
S -2.768715 1.096098 0.139433
S 5.209324 -1.527199 -0.164344
O -2.023798 -0.182249 1.744940
O 0.359533 1.102989 2.054917
O -2.205257 -2.526903 0.339498
O -2.767511 2.703801 0.392656
O -1.839597 0.461530 -1.048528
N 2.843039 -0.412906 0.825740
N -0.899774 -0.758909 1.257454
N 0.105017 -2.553384 0.028756
N 2.548809 -2.414062 -0.259383
C 1.463673 -0.711401 0.865687
C 3.494235 0.821330 1.354325
C 1.336346 -1.938318 0.191911
C 3.441686 -1.457844 0.138649
C 0.365615 0.001483 1.447758
C 3.628333 1.929053 0.313078
C -1.081755 -1.994493 0.506753
C 2.508581 2.736537 -0.015027
C 4.869460 2.166588 -0.328059
C -4.569917 0.533879 0.009690
C 2.630148 3.756238 -0.983959
C 4.990768 3.190097 -1.295207
C 3.869450 3.984315 -1.627615
C 5.308841 -3.277167 -0.859758
C -5.547511 1.542421 0.066128
C -4.838055 -0.836985 -0.126798
C -6.896909 1.137856 -0.052089
C -6.197805 -1.211920 -0.241696
C -7.218097 -0.231701 -0.207249
H 4.484567 0.520069 1.741282
H 2.870244 1.157532 2.198433
H 0.025387 -3.425583 -0.498153
H 1.552862 2.573743 0.496025
H 5.741864 1.552868 -0.071688
H 1.760059 4.373833 -1.231751
H 5.954694 3.367811 -1.784893
H 3.961224 4.778173 -2.377423
H 4.670049 -3.346680 -1.749838
H 4.981730 -3.995983 -0.096483
H 6.368896 -3.423058 -1.116570
H -5.263289 2.591613 0.192663
H -4.031805 -1.580181 -0.114911
H -7.689839 1.892167 -0.020722
H -6.452435 -2.271418 -0.346910
H -8.266865 -0.535979 -0.293422


