%chk=000277825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277825

0 1
S -2.617262 -0.275693 1.742648
O -0.912591 1.106357 -2.131691
O 1.762368 -2.245980 0.744502
O 1.239442 -2.689111 -1.415383
N -0.743210 -0.229504 -0.133100
N -2.485001 2.498550 0.302735
C -1.084568 0.497674 1.135463
C -1.405912 -1.539376 -0.329633
C -2.828154 -1.451709 0.311450
C -1.162248 1.827698 0.323084
C -0.953225 0.944696 -0.951507
C -0.508053 -2.620862 0.303958
C -3.817226 -0.821682 -0.652849
C -3.353295 -2.748290 0.892471
C 0.879114 -2.525411 -0.273852
C -2.528822 3.510296 -0.798111
C -2.756680 3.159068 1.614908
C 3.147295 -1.946884 0.383193
C 3.273402 -0.470732 0.126942
C 2.751978 0.080423 -1.053556
C 3.905830 0.358124 1.063873
C 2.864153 1.451774 -1.292949
C 4.022546 1.729297 0.815825
C 3.502216 2.277212 -0.360738
H -0.297619 0.456275 1.911131
H -1.487486 -1.736061 -1.434488
H -0.299897 2.499954 0.524199
H -0.916221 -3.632999 0.104577
H -0.471113 -2.503369 1.412004
H -4.810377 -0.697210 -0.198177
H -3.515708 0.189597 -0.971668
H -3.952354 -1.426194 -1.558138
H -3.412373 -3.534341 0.127439
H -2.739462 -3.131599 1.718944
H -4.370119 -2.628972 1.296151
H -2.319165 3.018213 -1.765384
H -1.832358 4.353263 -0.685937
H -3.553627 3.911549 -0.858736
H -3.781032 3.567692 1.589957
H -2.064323 3.971313 1.878183
H -2.738960 2.408559 2.422169
H 3.436589 -2.554221 -0.496879
H 3.691016 -2.292048 1.281229
H 2.249442 -0.565873 -1.780259
H 4.305035 -0.060532 1.985703
H 2.454756 1.875257 -2.209746
H 4.519783 2.370233 1.541271
H 3.596176 3.344079 -0.552926


%chk=000277825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277825

0 1
S -2.724957 -0.371289 1.859402
O -0.882169 0.979812 -2.165219
O 1.712305 -2.123909 0.834942
O 1.163405 -2.898108 -1.304746
N -0.891527 -0.328820 -0.120883
N -2.316687 2.564363 0.295645
C -1.133584 0.397235 1.153449
C -1.473866 -1.669727 -0.276469
C -2.934325 -1.557329 0.316095
C -1.097934 1.753086 0.332996
C -0.934890 0.827068 -0.928260
C -0.576872 -2.723449 0.426966
C -3.881510 -0.881492 -0.697747
C -3.516727 -2.890005 0.821959
C 0.832416 -2.618432 -0.128710
C -2.281314 3.576873 -0.788576
C -2.628197 3.163878 1.610447
C 3.117767 -1.813532 0.370681
C 3.258244 -0.332721 0.097819
C 2.685525 0.236630 -1.070240
C 3.947486 0.505917 1.008908
C 2.791728 1.622862 -1.313655
C 4.065850 1.892626 0.759880
C 3.484936 2.454122 -0.400802
H -0.341303 0.284278 1.908107
H -1.530801 -1.895318 -1.357275
H -0.174449 2.340917 0.570151
H -0.964831 -3.734356 0.214261
H -0.570982 -2.555813 1.516671
H -4.872332 -0.717711 -0.240087
H -3.503947 0.103265 -1.018768
H -4.010547 -1.525012 -1.590699
H -3.601028 -3.609241 -0.015749
H -2.900673 -3.340725 1.616908
H -4.531344 -2.733693 1.228621
H -2.067928 3.087202 -1.751841
H -1.508294 4.367460 -0.617491
H -3.268517 4.067690 -0.850834
H -3.574750 3.727158 1.534368
H -1.831863 3.864196 1.968391
H -2.767511 2.369600 2.363462
H 3.311697 -2.424491 -0.528156
H 3.749271 -2.142467 1.210507
H 2.150367 -0.403932 -1.780266
H 4.391562 0.073810 1.914444
H 2.334060 2.049973 -2.212431
H 4.607473 2.530987 1.466967
H 3.574266 3.529064 -0.594841


