%chk=000218933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218933

0 1
S -1.822620 0.907204 -1.141679
P -3.409614 -0.184696 -0.294283
O -3.852737 0.707070 1.029258
O -3.040963 -1.551170 0.148919
N 1.246598 -1.454409 0.302523
C 0.029312 -1.017196 -0.436456
C -0.396728 0.413397 -0.098790
C 2.458082 -0.742327 0.039205
C 0.958171 -1.786437 1.724526
C 2.697320 -0.226157 -1.257165
C 3.481505 -0.639765 1.005269
C 4.936484 0.462163 -0.604043
C 3.918717 0.362507 -1.567499
C 4.702715 -0.048751 0.679210
C -4.695059 -0.002288 -1.618999
C -4.330750 2.063018 0.882174
C 6.243778 1.095563 -0.956314
C -5.842049 2.070368 0.726150
H -0.787775 -1.750579 -0.201778
H 0.228769 -1.125306 -1.528437
H 0.408504 1.141822 -0.331299
H -0.626935 0.531596 0.976784
H 0.917292 -0.912490 2.391734
H 1.730432 -2.483086 2.094162
H -0.009960 -2.315225 1.792638
H 1.932535 -0.306481 -2.027657
H 3.340922 -1.027532 2.010323
H 4.087150 0.748472 -2.571907
H 5.480991 0.014059 1.438497
H -4.772417 1.018569 -2.009702
H -4.466010 -0.662436 -2.470846
H -5.684303 -0.303202 -1.244172
H -4.022237 2.498228 1.858292
H -3.810970 2.604944 0.072310
H 6.102600 2.090496 -1.399605
H 6.899337 1.221268 -0.085623
H 6.791941 0.484617 -1.687682
H -6.274021 3.007008 1.100932
H -6.171379 1.953857 -0.310932
H -6.294125 1.253609 1.310065


%chk=000218933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218933

0 1
S -2.312099 0.899735 -1.443817
P -3.691131 -0.321583 -0.025396
O -5.096449 0.656092 0.264937
O -2.882056 -0.795994 1.277647
N 1.069975 -0.839496 0.337348
C -0.063278 -0.661416 -0.576592
C -0.740508 0.714102 -0.381646
C 2.376430 -0.450957 -0.010545
C 0.781808 -1.376825 1.676283
C 2.665668 0.227354 -1.237114
C 3.476622 -0.721889 0.859169
C 5.079544 0.324232 -0.707211
C 3.983536 0.595680 -1.567077
C 4.788667 -0.338782 0.509672
C -4.493759 -1.634351 -1.060364
C -5.001785 1.840911 1.168798
C 6.496430 0.725395 -1.082735
C -5.045006 3.132161 0.349331
H -0.809413 -1.449135 -0.366712
H 0.256182 -0.788579 -1.626252
H -0.090791 1.551270 -0.687704
H -1.040074 0.843864 0.671002
H 1.173368 -0.713707 2.472879
H 1.224593 -2.384038 1.822779
H -0.310500 -1.452593 1.807037
H 1.862022 0.482828 -1.935033
H 3.313697 -1.242802 1.807015
H 4.162425 1.116803 -2.516836
H 5.606561 -0.566816 1.205158
H -5.006729 -1.157569 -1.908639
H -3.715663 -2.319026 -1.429057
H -5.220014 -2.179270 -0.437376
H -5.876614 1.748929 1.834857
H -4.084543 1.768151 1.784683
H 6.558574 1.796276 -1.354628
H 7.197282 0.551695 -0.247325
H 6.867314 0.148356 -1.952271
H -5.056938 4.006329 1.027646
H -4.164850 3.209943 -0.311232
H -5.955993 3.165020 -0.272575


