%chk=000282204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282204

0 1
S -1.593681 2.147615 -0.135491
S 3.370907 1.899956 0.100432
O -2.040023 3.283101 -0.904047
O -1.606601 2.212557 1.305683
O 3.910960 2.488411 -1.100360
O 4.238295 1.691695 1.234024
N -0.439778 -0.255166 -2.554407
C -0.044614 1.495906 -0.758811
C 1.060527 1.334720 0.261064
C -0.744422 0.162186 -1.170266
C -2.212494 0.616749 -0.825827
C 2.285331 0.525923 -0.284548
C 1.826183 2.641352 0.580924
C -2.969585 -0.320380 0.044913
C 2.503774 -0.797657 0.358222
C -0.842297 0.727501 -3.600628
C -1.019942 -1.601030 -2.844070
C -4.038335 -1.048073 -0.509965
C -2.631426 -0.520088 1.392628
C 2.150721 -1.955909 -0.359373
C 3.019147 -0.925683 1.656823
C -4.751252 -1.960139 0.271109
C -3.349309 -1.434252 2.168644
C 2.310498 -3.217551 0.216014
C 3.177036 -2.192338 2.226792
C -4.407328 -2.158483 1.611995
C 2.821946 -3.339777 1.512307
H 0.337168 2.050150 -1.647730
H 0.664177 0.869981 1.196610
H -0.429750 -0.677609 -0.495548
H -2.796823 0.811748 -1.756116
H 2.198518 0.379904 -1.392654
H 1.519503 3.524070 0.004572
H 1.740659 2.959725 1.630701
H -0.366734 1.703220 -3.399918
H -1.927082 0.885734 -3.698729
H -0.456173 0.383014 -4.575404
H -0.696620 -1.923843 -3.847319
H -2.119128 -1.644095 -2.802007
H -0.621304 -2.335360 -2.124191
H -4.318667 -0.900409 -1.550699
H -1.826588 0.054630 1.859702
H 1.755305 -1.866943 -1.372012
H 3.329262 -0.043906 2.227434
H -5.579165 -2.516857 -0.165923
H -3.082112 -1.577174 3.215721
H 2.039519 -4.108968 -0.347251
H 3.584753 -2.281123 3.233549
H -4.963772 -2.869037 2.220052
H 2.947619 -4.323501 1.959778


%chk=000282204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282204

0 1
S -1.618066 2.245529 0.312308
S 3.684922 2.104896 0.131819
O -2.094901 3.728709 -0.185223
O -1.352593 1.928098 1.903686
O 4.660730 2.751543 -1.006100
O 4.234386 1.834897 1.649561
N -0.422727 -0.514494 -2.141858
C -0.067630 1.525828 -0.686054
C 1.211018 1.541016 0.134932
C -0.795038 0.162976 -0.889059
C -2.311730 0.530572 -0.703804
C 2.296803 0.607663 -0.479735
C 1.896076 2.928828 0.197647
C -3.253501 -0.329170 0.032917
C 2.558932 -0.739896 0.055907
C -0.885138 0.102248 -3.401675
C -0.610735 -1.982173 -2.117407
C -4.591684 -0.475961 -0.437335
C -2.870992 -0.994953 1.234968
C 2.909890 -1.795685 -0.834464
C 2.532207 -1.003554 1.457332
C -5.511547 -1.289772 0.251903
C -3.796000 -1.803800 1.924366
C 3.202924 -3.083360 -0.344492
C 2.826476 -2.293614 1.943607
C -5.114655 -1.959936 1.434087
C 3.158718 -3.337521 1.047816
H -0.015637 2.136599 -1.603455
H 0.969197 1.208203 1.161312
H -0.499281 -0.507166 -0.062396
H -2.741175 1.009222 -1.600469
H 2.367144 0.685187 -1.577049
H 1.811652 3.535847 -0.717136
H 1.751362 3.513577 1.115565
H -0.706697 1.191339 -3.396976
H -1.966286 -0.071466 -3.615042
H -0.306967 -0.322880 -4.241104
H -0.128002 -2.422016 -3.008500
H -1.681050 -2.292958 -2.115791
H -0.120353 -2.405655 -1.223984
H -4.901459 0.048780 -1.349642
H -1.866872 -0.849628 1.646914
H 2.939587 -1.597056 -1.912654
H 2.320414 -0.195786 2.165539
H -6.534269 -1.400289 -0.123977
H -3.496595 -2.302676 2.852206
H 3.468601 -3.886366 -1.040479
H 2.816032 -2.482416 3.022376
H -5.829964 -2.589785 1.974105
H 3.391277 -4.337028 1.431387


