%chk=000217891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217891

0 1
S 0.622020 -1.136888 1.752672
O -4.944529 -0.461171 0.032896
N 0.767924 1.202085 -0.341559
N 1.968090 3.810240 0.134669
C -0.143650 0.241303 -1.052766
C -0.011348 2.318951 0.293266
C 1.777572 1.784882 -1.288902
C 0.953996 3.230161 1.076688
C 2.743260 2.695317 -0.504028
C 0.616859 -0.998202 -1.591006
C -1.241553 -0.260025 -0.128943
C 1.818381 -1.444360 -0.809719
C -0.963709 -0.970836 1.037217
C 2.889508 4.731002 0.865944
C -2.579108 -0.059723 -0.518723
C 1.862464 -1.558204 0.582063
C 2.967360 -1.804855 -1.546680
C -2.002102 -1.512657 1.819289
C -3.601553 -0.583025 0.278398
C -3.325432 -1.320683 1.452895
C 3.023166 -2.017509 1.230711
C 4.118887 -2.259640 -0.909486
C 4.148352 -2.365601 0.487249
C -5.372934 0.287990 -1.151405
C -6.884651 0.211387 -1.075752
H -0.625007 0.738585 -1.942699
H -0.744695 1.881933 1.006043
H -0.580562 2.921318 -0.446989
H 1.309410 2.360587 -2.116464
H 2.361683 0.955334 -1.741728
H 0.381181 4.065751 1.530484
H 1.415377 2.651082 1.907425
H 3.310296 2.084037 0.232750
H 3.479589 3.139584 -1.205861
H 0.907612 -0.792548 -2.642984
H -0.093266 -1.855026 -1.657208
H 2.302165 5.560536 1.290875
H 3.597562 5.173367 0.147329
H 3.466299 4.264067 1.677867
H -2.798857 0.494987 -1.423481
H 2.954347 -1.726951 -2.632448
H -1.769351 -2.087833 2.719958
H -4.149385 -1.721896 2.038113
H 3.051568 -2.107056 2.318846
H 4.994757 -2.533281 -1.493954
H 5.045780 -2.720945 0.989008
H -4.990825 1.319644 -1.067348
H -4.962204 -0.211256 -2.045390
H -7.354999 0.737775 -1.913756
H -7.232361 -0.831512 -1.088408
H -7.259987 0.652375 -0.141166


%chk=000217891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217891

0 1
S 0.685107 -1.262005 1.905409
O -5.026806 -0.459179 0.068197
N 0.735436 1.238979 -0.313986
N 1.953295 3.841795 0.140299
C -0.160109 0.239338 -0.953139
C -0.000402 2.328165 0.377539
C 1.714297 1.813098 -1.271171
C 0.981508 3.263894 1.098850
C 2.689258 2.757137 -0.549971
C 0.639849 -0.963069 -1.557400
C -1.250524 -0.279247 -0.017212
C 1.857622 -1.466247 -0.789098
C -0.973500 -1.017062 1.159380
C 2.859155 4.814688 0.779711
C -2.602528 -0.093584 -0.403975
C 1.938440 -1.660832 0.616873
C 3.003861 -1.810516 -1.559941
C -2.043450 -1.531187 1.938540
C -3.666462 -0.603774 0.377609
C -3.380749 -1.323959 1.562855
C 3.127108 -2.174452 1.203163
C 4.184671 -2.322173 -0.986331
C 4.245694 -2.502882 0.414019
C -5.380597 0.270324 -1.165746
C -6.903332 0.256360 -1.266450
H -0.697818 0.710983 -1.820875
H -0.685205 1.882303 1.119043
H -0.610150 2.930043 -0.344415
H 1.194930 2.381021 -2.086448
H 2.298319 0.998569 -1.731683
H 0.417856 4.089201 1.573577
H 1.496207 2.683602 1.906836
H 3.301719 2.153654 0.167946
H 3.375742 3.208326 -1.291443
H 0.979416 -0.687969 -2.573097
H -0.084333 -1.789432 -1.697958
H 2.268462 5.632894 1.230225
H 3.529601 5.255380 0.019690
H 3.495866 4.364351 1.583749
H -2.799472 0.467630 -1.323173
H 2.954048 -1.668169 -2.647302
H -1.819149 -2.109749 2.840960
H -4.208345 -1.722180 2.157009
H 3.167414 -2.323143 2.288627
H 5.041801 -2.574908 -1.619507
H 5.149395 -2.899400 0.889451
H -4.989761 1.307245 -1.105808
H -4.914795 -0.233107 -2.038312
H -7.228971 0.794197 -2.175383
H -7.280235 -0.779263 -1.317916
H -7.355992 0.746909 -0.388016


