%chk=000279681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279681

0 1
S 0.870599 1.114117 -0.726750
O 4.442966 0.585707 2.024254
O 1.497918 0.979881 -2.017555
O 0.264305 2.386429 -0.328588
O -1.510239 1.428058 -1.759404
N 2.059557 0.766729 0.486381
C -0.322344 -0.163706 -0.390554
C -1.712235 0.303018 -0.909703
C 2.568300 1.950127 1.239622
C 3.173541 -0.124204 0.047442
C 0.086194 -1.474056 -0.994073
C 3.369691 1.449077 2.452212
C 3.973646 -0.560631 1.286852
C -2.660666 0.600809 0.232579
C 0.246578 -2.597396 -0.166975
C 0.291706 -1.597304 -2.378097
C -3.742779 -0.256971 0.469751
C -2.468051 1.723906 1.049907
C 0.609225 -3.828635 -0.720009
C 0.654112 -2.830455 -2.923744
C 0.812486 -3.948446 -2.097913
C -4.627918 0.009194 1.519188
C -3.356389 1.988272 2.094348
C -4.436939 1.131267 2.331088
H -0.394914 -0.289804 0.727184
H -2.136612 -0.454638 -1.616411
H 1.702987 2.569757 1.572750
H 3.214123 2.602630 0.608639
H 3.848231 0.380357 -0.683015
H 2.750774 -1.018027 -0.465043
H 3.911943 2.266304 2.960189
H 2.733082 0.904212 3.170552
H 3.372992 -1.198090 1.958704
H 4.916356 -1.068123 1.014635
H 0.086762 -2.515203 0.906840
H 0.191650 -0.720988 -3.029471
H -1.500328 2.299049 -1.261880
H -3.901218 -1.130312 -0.161841
H -1.619469 2.395442 0.867374
H 0.730935 -4.696976 -0.074187
H 0.815921 -2.917783 -3.998083
H 1.093490 -4.908378 -2.527316
H -5.469329 -0.657813 1.700606
H -3.207195 2.864479 2.723993
H -5.129248 1.339519 3.145220


%chk=000279681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279681

0 1
S 1.282715 0.269883 -0.870935
O 3.002378 1.651703 3.307183
O 2.554309 -0.473890 -1.563916
O 0.745623 1.694527 -1.532209
O -1.687378 0.652393 -2.061905
N 1.743720 0.530098 1.007059
C -0.385931 -1.056513 -0.763819
C -1.658045 -0.172094 -0.858895
C 1.335073 1.886033 1.474216
C 3.208952 0.332624 1.209873
C -0.156531 -2.114677 -1.777127
C 1.587303 1.899605 3.001841
C 3.426888 0.365164 2.743263
C -1.962553 0.618989 0.425572
C 0.686600 -3.213746 -1.446272
C -0.753609 -2.063747 -3.070271
C -1.972301 -0.022492 1.691600
C -2.314808 1.987887 0.350192
C 0.910082 -4.250438 -2.373152
C -0.529800 -3.105341 -3.992025
C 0.300721 -4.199327 -3.649263
C -2.302163 0.696930 2.861486
C -2.643731 2.709934 1.520444
C -2.634473 2.070011 2.780986
H -0.162780 -1.381529 0.264358
H -2.489542 -0.893999 -1.006621
H 0.264302 2.051077 1.274203
H 1.921178 2.692875 0.987820
H 3.816286 1.130380 0.733424
H 3.517376 -0.640871 0.793371
H 1.359557 2.894697 3.416746
H 0.947498 1.132683 3.485559
H 2.863179 -0.466493 3.216019
H 4.500018 0.272928 2.977663
H 1.163903 -3.252483 -0.459511
H -1.375887 -1.201675 -3.332030
H -0.860011 1.240553 -2.048781
H -1.738812 -1.091624 1.773948
H -2.339562 2.473283 -0.629577
H 1.559402 -5.091715 -2.108531
H -0.994838 -3.062180 -4.982842
H 0.476519 -5.003426 -4.372597
H -2.309575 0.186057 3.830951
H -2.912521 3.769495 1.445346
H -2.894533 2.628853 3.686857


