%chk=000186421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186421

0 1
S 0.800495 -0.190395 1.680743
O 0.662650 3.537037 -1.492240
O 0.135991 -1.460853 1.915638
O 1.396167 0.485643 2.822345
N -0.353752 0.888677 0.988285
C 0.130161 2.289748 -0.944069
C 0.157069 2.218037 0.576412
C 1.404169 2.298505 -1.740901
C -1.781455 0.876306 1.436777
C -2.576824 0.001446 0.475146
C 2.012658 -0.318775 0.454841
C -1.945692 0.434299 2.891539
C 1.804878 -0.920934 -0.792487
C 3.279655 0.202846 0.777122
C -3.364252 0.620813 -0.507772
C -2.542547 -1.397372 0.550930
C 0.488249 -1.510370 -1.216331
C 2.878759 -0.984836 -1.708730
C 4.330088 0.140910 -0.131408
C -4.115587 -0.152425 -1.397143
C -3.296119 -2.167632 -0.338715
C 4.124993 -0.462581 -1.382227
C 0.363233 -2.958540 -0.745347
C -4.084941 -1.547972 -1.313085
H -0.803251 1.956884 -1.411750
H -0.465842 3.051466 0.984238
H 1.179673 2.417269 0.972643
H 1.411609 1.983746 -2.781353
H 2.374024 2.247364 -1.250788
H -2.177554 1.931062 1.362388
H -1.674296 -0.622981 3.053077
H -1.331581 1.032691 3.577246
H -2.989781 0.534017 3.212080
H 3.442291 0.663236 1.762827
H -3.398300 1.706238 -0.580262
H -1.909516 -1.887901 1.302034
H 0.379711 -1.466779 -2.320483
H -0.373845 -0.916960 -0.833688
H 2.726899 -1.461917 -2.676239
H 5.306257 0.547193 0.126256
H -4.727539 0.333715 -2.154549
H -3.268605 -3.253774 -0.269211
H 4.948169 -0.521878 -2.096098
H 0.333894 -3.014121 0.358169
H -0.567273 -3.408485 -1.109848
H 1.197695 -3.577449 -1.089244
H -4.673885 -2.149020 -2.002470


%chk=000186421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186421

0 1
S 0.819647 -0.286452 1.732697
O 0.709430 3.757700 -1.452513
O 0.100827 -1.736089 1.920625
O 1.394857 0.477644 3.061972
N -0.368651 0.810031 0.706960
C -0.160081 2.659338 -0.887781
C 0.274669 2.143890 0.478603
C 0.662102 2.389621 -2.105074
C -1.790603 0.912611 1.249022
C -2.755396 0.086766 0.395706
C 2.286905 -0.419797 0.517228
C -1.938848 0.632791 2.767678
C 2.165953 -1.069866 -0.734104
C 3.479957 0.132115 1.019434
C -3.768390 0.747403 -0.342934
C -2.681725 -1.329381 0.346330
C 0.901577 -1.723303 -1.270262
C 3.363433 -1.120890 -1.503354
C 4.644437 0.052921 0.226438
C -4.696865 0.013272 -1.117106
C -3.606515 -2.062737 -0.428278
C 4.579031 -0.574204 -1.039402
C 0.836394 -3.237083 -0.928137
C -4.617011 -1.396625 -1.162579
H -1.235521 2.838865 -1.018230
H 0.019078 2.877852 1.270846
H 1.373484 2.037885 0.469034
H 0.180194 2.369627 -3.089341
H 1.582230 1.800606 -2.004149
H -2.051672 1.980678 1.101225
H -1.718936 -0.420508 3.007252
H -1.260879 1.273442 3.358759
H -2.979850 0.843664 3.068630
H 3.480881 0.601717 2.009346
H -3.839784 1.842911 -0.307826
H -1.896377 -1.847671 0.909577
H 0.884183 -1.600050 -2.370255
H 0.004742 -1.218185 -0.874933
H 3.324452 -1.606463 -2.485955
H 5.584755 0.475960 0.593476
H -5.476691 0.538770 -1.679947
H -3.541181 -3.156477 -0.457218
H 5.476182 -0.637216 -1.664896
H 0.786771 -3.377831 0.164694
H -0.069036 -3.684575 -1.376956
H 1.718270 -3.777332 -1.318417
H -5.333428 -1.970148 -1.761585


