%chk=000235603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235603

0 1
S 0.233353 0.686393 0.306495
S -0.088691 -2.255271 1.165644
O 2.868188 3.628292 0.170935
O 0.946005 2.619941 0.347961
O 6.332140 -1.405920 -1.524868
O 6.695096 0.707678 -1.221170
N -1.998683 -0.669947 0.283947
N 2.177739 2.633976 0.128934
N 5.978407 -0.277603 -1.233077
C -2.525548 0.615367 -0.169054
C -2.983890 -1.729531 0.487379
C -0.680753 -0.846376 0.554282
C 1.870877 0.220211 -0.154713
C -3.041837 0.714189 -1.469749
C -2.888054 -2.920547 -0.247770
C -2.524424 1.714233 0.704196
C -4.027945 -1.514584 1.399757
C 2.745790 1.332274 -0.195332
C 2.351401 -1.043854 -0.511024
C 4.099378 1.190669 -0.538967
C 4.557915 -0.085221 -0.865325
C -3.546251 1.942892 -1.903091
C -3.857044 -3.908646 -0.055765
C -3.027412 2.935868 0.248293
C -4.988289 -2.514417 1.573703
C 3.687979 -1.201270 -0.857094
C -3.535839 3.051703 -1.049918
C -4.904853 -3.708093 0.849450
H -3.047141 -0.152175 -2.130453
H -2.065083 -3.083138 -0.943498
H -2.142198 1.624112 1.722031
H -4.087044 -0.587748 1.968417
H 1.691412 -1.924375 -0.511613
H 4.772369 2.062791 -0.551636
H 4.085079 -2.189808 -1.129062
H -3.947122 2.035941 -2.912642
H -3.790493 -4.842920 -0.613169
H -3.020245 3.802281 0.910765
H -5.802480 -2.362231 2.281862
H -3.924619 4.008558 -1.397417
H -5.654190 -4.485091 0.993857


%chk=000235603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235603

0 1
S 0.153876 1.001983 -0.268719
S 0.187362 -1.879765 1.089712
O 3.650012 3.191654 1.275548
O 1.626634 3.291395 0.218168
O 6.241632 -1.809059 -1.566335
O 6.934182 0.156053 -0.631496
N -2.032979 -0.550138 0.166618
N 2.735470 2.694831 0.513237
N 6.015005 -0.661238 -1.020143
C -2.712395 0.672049 -0.263701
C -2.907469 -1.678161 0.481229
C -0.662269 -0.625903 0.340784
C 1.899083 0.506087 -0.470809
C -3.375643 0.691467 -1.512316
C -2.713093 -2.928549 -0.150497
C -2.746046 1.798850 0.591815
C -3.979599 -1.486798 1.382396
C 2.972759 1.357441 -0.077066
C 2.234010 -0.736062 -1.072479
C 4.321979 0.979577 -0.231686
C 4.599787 -0.259274 -0.828376
C -4.062721 1.856873 -1.914254
C -3.594586 -3.993327 0.131160
C -3.430075 2.962946 0.178208
C -4.856987 -2.558569 1.658698
C 3.569541 -1.122909 -1.263448
C -4.088559 2.994513 -1.072640
C -4.667084 -3.813383 1.036665
H -3.348259 -0.194550 -2.154912
H -1.878520 -3.066066 -0.843877
H -2.234622 1.765226 1.559518
H -4.125232 -0.513307 1.860985
H 1.432582 -1.396883 -1.407179
H 5.124622 1.641581 0.102480
H 3.826498 -2.070314 -1.743260
H -4.572515 1.878723 -2.883206
H -3.444544 -4.962317 -0.356690
H -3.447949 3.840653 0.832469
H -5.684510 -2.412026 2.360910
H -4.618673 3.898793 -1.389816
H -5.347704 -4.643494 1.253805


