%chk=000257479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257479

0 1
S 0.078648 -0.293602 -1.515079
O 0.259831 -1.680061 -1.951779
O 0.084596 0.749565 -2.524936
O 0.476277 2.077226 0.232598
O 4.482459 -1.646084 0.782046
N -4.908032 -0.028448 1.651215
C 1.384960 0.002929 -0.383341
C -1.366475 -0.210970 -0.592220
C 1.500380 1.170304 0.367288
C 2.381417 -0.972486 -0.265078
C -2.015979 1.016086 -0.399643
C -1.928727 -1.382693 -0.065638
C 3.457292 -0.742478 0.596424
C 2.586823 1.410314 1.237267
C -3.201213 1.090374 0.322039
C -3.110905 -1.341458 0.661798
C -3.755126 -0.095000 0.865410
C 3.575813 0.444726 1.351931
H 2.308702 -1.899639 -0.847745
H -1.582093 1.930277 -0.827125
H -1.433780 -2.346866 -0.240239
H 2.648126 2.334839 1.804851
H -3.693389 2.046211 0.468166
H -3.533818 -2.253553 1.070666
H 4.438081 0.577796 2.006423
H 0.655198 2.923710 0.712101
H -5.476357 0.801502 1.619878
H -5.411567 -0.875301 1.856921
H 4.373957 -2.443920 0.206899


%chk=000257479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257479

0 1
S 0.086921 -0.229845 -1.524019
O 0.309951 -1.793411 -1.984349
O 0.049400 0.967819 -2.630918
O 0.689377 2.280208 0.243832
O 4.572213 -1.779631 0.790807
N -5.155388 -0.139902 1.523115
C 1.522989 0.077709 -0.299784
C -1.499886 -0.183366 -0.527963
C 1.676438 1.296689 0.388142
C 2.452068 -0.968623 -0.202238
C -2.188355 1.036443 -0.408999
C -1.995045 -1.393267 -0.011336
C 3.585228 -0.794171 0.624429
C 2.817976 1.451745 1.215805
C -3.413641 1.047710 0.280010
C -3.218479 -1.376425 0.681714
C -3.943372 -0.155457 0.840212
C 3.766793 0.417779 1.330296
H 2.261505 -1.881856 -0.782783
H -1.773132 1.944559 -0.855289
H -1.443464 -2.325253 -0.172892
H 2.966332 2.384952 1.773498
H -3.970802 1.985867 0.384097
H -3.624498 -2.307674 1.093179
H 4.651547 0.533080 1.962461
H 0.951291 3.116676 0.701041
H -5.686998 0.719774 1.623495
H -5.548231 -0.993607 1.908633
H 4.376364 -2.575221 0.236902


