%chk=000244445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244445

0 1
S 0.437332 -1.522846 0.169831
O 0.660561 -2.489428 1.207576
O -0.352446 -1.898356 -0.967575
O -3.811521 -0.071759 0.458900
O 0.329254 2.131116 1.365172
O -2.347642 1.339099 -0.542884
N -0.277829 -0.087928 0.903811
C -1.666594 -0.070171 1.403656
C 1.888713 -0.682349 -0.264716
C 1.840198 0.662727 0.161814
C 0.565497 1.053835 0.878062
C -1.843585 0.740811 2.682172
C 2.992340 -1.170118 -0.935429
C -2.580739 0.519255 0.306184
C 2.894381 1.526616 -0.081614
C 4.072266 -0.296334 -1.187128
C 4.022892 1.029740 -0.767330
C -4.866082 0.266889 -0.499472
C -4.625902 -0.470376 -1.799200
H -1.985365 -1.136881 1.594077
H -1.564453 1.800247 2.543064
H -2.884514 0.709693 3.029406
H -1.208494 0.353973 3.490174
H 3.044584 -2.207741 -1.272192
H 2.849464 2.567672 0.248185
H 4.949317 -0.670675 -1.717244
H 4.861914 1.699549 -0.967809
H -5.760920 -0.084303 0.045602
H -4.884195 1.363634 -0.626535
H -5.471092 -0.362290 -2.487828
H -3.727974 -0.091992 -2.312631
H -4.462267 -1.543607 -1.631096


%chk=000244445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244445

0 1
S 0.672920 -1.735143 0.305265
O 1.025265 -2.708210 1.551677
O -0.141397 -2.372189 -0.943230
O -3.818066 0.288573 0.461456
O 0.104448 2.160465 1.030445
O -2.024602 0.756132 -0.959747
N -0.206829 -0.169952 0.953937
C -1.631644 -0.260038 1.284874
C 2.121330 -0.645225 -0.196371
C 1.846720 0.697270 0.111521
C 0.511751 1.004152 0.728416
C -1.952936 0.372880 2.661978
C 3.308439 -1.098030 -0.777996
C -2.471179 0.330947 0.124494
C 2.823171 1.668303 -0.190141
C 4.280818 -0.109241 -1.075851
C 4.037726 1.256117 -0.784864
C -4.782998 0.758125 -0.587614
C -5.123694 -0.380690 -1.551048
H -1.891038 -1.337371 1.332064
H -1.705650 1.445345 2.659786
H -3.025506 0.245688 2.879312
H -1.360974 -0.132533 3.443228
H 3.484245 -2.154822 -0.998201
H 2.613136 2.717256 0.041912
H 5.226935 -0.409237 -1.537464
H 4.801971 2.001811 -1.025596
H -5.655860 1.086804 -0.001560
H -4.329869 1.615383 -1.115126
H -5.892207 -0.039427 -2.269252
H -4.233707 -0.692281 -2.122689
H -5.523620 -1.253161 -1.006613


