%chk=000217555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217555

0 1
S -6.121239 0.867270 -1.205477
N -4.400159 -0.072618 0.630741
C 4.390195 0.241314 -0.444059
C 5.594181 1.128689 -0.050289
C 4.799411 -1.192436 -0.035810
C 3.086979 0.714811 0.216000
C 6.835708 0.223356 -0.135389
C 6.337687 -1.235481 -0.085429
C 1.862480 -0.039622 -0.318398
C 0.565791 0.468598 0.326423
C -0.658856 -0.287729 -0.206304
C -1.952277 0.221438 0.441086
C -3.174686 -0.540603 -0.097971
C -5.524262 -1.057016 0.554014
C -4.900025 1.223551 0.147639
C -6.333343 -0.881940 -0.737191
H 4.269034 0.276968 -1.552246
H 5.475332 1.520159 0.974723
H 5.681157 2.004805 -0.710470
H 4.350236 -1.942373 -0.704416
H 4.440134 -1.426639 0.981057
H 2.961589 1.801032 0.039461
H 3.152726 0.597311 1.314731
H 7.536260 0.434273 0.688617
H 7.391066 0.410334 -1.070102
H 6.685670 -1.794074 -0.970425
H 6.743958 -1.763206 0.792779
H 1.804173 0.069200 -1.418621
H 1.977538 -1.124250 -0.128721
H 0.450861 1.553214 0.136429
H 0.625273 0.360881 1.426832
H -0.717592 -0.178722 -1.306747
H -0.541157 -1.372046 -0.015444
H -2.066374 1.307442 0.259975
H -1.902982 0.109262 1.543058
H -3.044890 -1.628275 0.091865
H -3.255133 -0.418952 -1.199900
H -5.137780 -2.091631 0.654927
H -6.170992 -0.877105 1.444354
H -4.106065 1.888122 -0.239722
H -5.430887 1.744893 0.970832
H -5.968173 -1.525276 -1.555294
H -7.404670 -1.099727 -0.593321


%chk=000217555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217555

0 1
S -6.038646 0.786004 -1.521659
N -4.510465 -0.046108 0.644706
C 4.445671 0.277400 -0.374534
C 5.697829 1.068235 0.086690
C 4.831097 -1.190698 -0.032412
C 3.123166 0.760711 0.258482
C 6.888278 0.187994 -0.373557
C 6.377017 -1.288253 -0.248705
C 1.874290 -0.012960 -0.223242
C 0.555956 0.526995 0.375019
C -0.690741 -0.258102 -0.091220
C -2.008137 0.278842 0.512940
C -3.236058 -0.512624 0.021560
C -5.624712 -1.019083 0.549047
C -5.011476 1.208575 0.142391
C -6.204384 -1.000997 -0.909547
H 4.364071 0.372608 -1.479846
H 5.685732 1.154288 1.192880
H 5.735908 2.093420 -0.325549
H 4.276230 -1.928596 -0.639197
H 4.577953 -1.386829 1.029143
H 2.984827 1.840026 0.036462
H 3.202843 0.676898 1.363563
H 7.803099 0.368843 0.218940
H 7.134000 0.417416 -1.428003
H 6.619993 -1.865367 -1.159438
H 6.859578 -1.810756 0.597249
H 1.819981 0.033753 -1.331408
H 1.980378 -1.085437 0.038708
H 0.439868 1.596536 0.100830
H 0.616205 0.495414 1.482998
H -0.750298 -0.224124 -1.199284
H -0.569672 -1.327720 0.181288
H -2.115072 1.350545 0.249636
H -1.971575 0.226218 1.618361
H -3.107764 -1.576009 0.299205
H -3.294656 -0.461772 -1.091379
H -5.275722 -2.026242 0.834190
H -6.418663 -0.711811 1.254449
H -4.217523 1.918211 -0.124334
H -5.745467 1.659631 0.825594
H -5.630021 -1.657424 -1.583740
H -7.267020 -1.290449 -0.923478


