%chk=000268689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268689

0 1
S 3.778641 -2.443899 -0.415837
O 4.732600 1.239455 0.250847
O 1.232776 -1.779470 -0.013238
O -1.486878 2.573012 -0.156953
N 2.841528 -0.083054 0.195220
N -0.272258 0.693899 -0.594172
C 1.922937 1.039069 0.550736
C 1.006384 1.433591 -0.622005
C 4.254343 0.147622 0.073854
C 4.998227 -1.111726 -0.278101
C 2.364051 -1.389566 -0.039410
C -1.468980 1.362302 -0.315948
C -2.684243 0.489810 -0.249719
C -3.567965 0.666226 0.824344
C -2.960963 -0.454962 -1.246160
C -4.720094 -0.119842 0.909603
C -4.117730 -1.234842 -1.157582
C -4.993860 -1.070696 -0.079386
H 1.325086 0.744283 1.444188
H 2.550447 1.914131 0.853708
H 0.792946 2.534168 -0.570414
H 1.507816 1.258580 -1.600667
H 5.560448 -0.989557 -1.229563
H 5.760746 -1.351271 0.495153
H -0.209695 -0.327179 -0.589664
H -3.356597 1.423415 1.581781
H -2.285512 -0.577243 -2.092826
H -5.406948 0.012692 1.744248
H -4.336648 -1.969935 -1.930525
H -5.893206 -1.681915 -0.011812


%chk=000268689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268689

0 1
S 3.705561 -2.321417 -1.368020
O 4.885139 1.108896 0.298490
O 1.185789 -1.688479 -0.471900
O -1.590821 2.600952 0.383408
N 2.915303 -0.156314 0.029995
N -0.248050 0.779525 -0.141115
C 2.074448 0.788459 0.821603
C 0.996343 1.539109 0.007200
C 4.297345 0.095795 -0.147371
C 4.990384 -1.010217 -0.939044
C 2.384760 -1.338117 -0.524766
C -1.482595 1.367562 0.078961
C -2.693334 0.475735 -0.061552
C -3.963668 1.102048 0.017195
C -2.626356 -0.930249 -0.255628
C -5.146374 0.343970 -0.103288
C -3.811693 -1.688621 -0.374380
C -5.074114 -1.055187 -0.301266
H 1.600630 0.230748 1.648677
H 2.793181 1.514059 1.240498
H 0.728155 2.473853 0.532165
H 1.414302 1.831466 -0.977687
H 5.421427 -0.595227 -1.863176
H 5.791556 -1.456280 -0.330073
H -0.161773 -0.211349 -0.382610
H -3.988580 2.185011 0.176711
H -1.666990 -1.458984 -0.305079
H -6.121345 0.840016 -0.042887
H -3.749658 -2.772611 -0.520612
H -5.991572 -1.647053 -0.394749


