%chk=000217631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217631

0 1
S -6.014388 -1.919530 1.709164
O 1.289844 -0.313503 -0.908538
N -4.626494 0.146448 0.699102
C -3.508554 -0.422606 -0.123840
C -5.938792 0.120707 -0.019294
C -2.174554 0.130313 0.406720
C -4.802737 -0.541016 1.987909
C -1.008020 -0.337584 -0.466294
C -6.633468 -1.237686 0.135648
C 0.320426 0.203759 0.057783
C 2.610145 0.045745 -0.616627
C 3.399332 -0.846389 0.132975
C 3.123257 1.237634 -1.164319
C 4.753596 -0.517132 0.351475
C 4.471844 1.536010 -0.931277
C 5.271655 0.672992 -0.180167
C 2.806350 -2.109928 0.661483
C 2.264648 2.148137 -1.975890
C 5.640993 -1.424968 1.141437
H -3.496139 -1.534227 -0.128136
H -3.646294 -0.104953 -1.180473
H -5.799111 0.387185 -1.086859
H -6.564571 0.929749 0.424980
H -2.019620 -0.186666 1.456241
H -2.220276 1.238390 0.433919
H -3.865095 -0.954260 2.402118
H -5.236905 0.165020 2.725922
H -1.144685 -0.013976 -1.518428
H -0.962938 -1.444804 -0.509257
H -7.731492 -1.144554 0.178554
H -6.389150 -1.933640 -0.684604
H 0.370657 1.304998 0.051608
H 0.579589 -0.180508 1.057877
H 4.900303 2.448812 -1.341095
H 6.316251 0.928452 -0.010098
H 2.744777 -2.097613 1.757226
H 1.790010 -2.273272 0.267297
H 3.403477 -2.985320 0.370740
H 1.331849 1.649475 -2.285829
H 1.990817 3.048832 -1.410883
H 2.773468 2.474201 -2.892923
H 5.224951 -1.622481 2.139358
H 5.759769 -2.395879 0.638682
H 6.646973 -1.011463 1.286513


%chk=000217631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217631

0 1
S -5.968835 -2.190544 1.519221
O 1.311771 -0.400245 -0.939522
N -4.702670 0.174699 0.805113
C -3.588961 -0.274998 -0.080794
C -6.029585 0.222543 0.145237
C -2.209532 0.182556 0.434164
C -4.866712 -0.599776 2.011162
C -1.068652 -0.307892 -0.486234
C -6.589439 -1.235765 0.001684
C 0.307130 0.157360 -0.003781
C 2.657419 -0.013475 -0.657313
C 3.462266 -0.868789 0.143086
C 3.156458 1.181506 -1.244664
C 4.820869 -0.502941 0.383022
C 4.508572 1.513919 -0.995179
C 5.323180 0.690797 -0.188165
C 2.889496 -2.152990 0.713773
C 2.275345 2.055141 -2.118716
C 5.720607 -1.384301 1.231879
H -3.595958 -1.383939 -0.200358
H -3.761233 0.166426 -1.080296
H -5.950777 0.725494 -0.833550
H -6.715125 0.808832 0.784361
H -2.045148 -0.200774 1.461396
H -2.207382 1.287618 0.504361
H -3.916637 -0.964082 2.424205
H -5.455813 -0.060355 2.766803
H -1.224382 0.060642 -1.518891
H -1.069433 -1.414091 -0.539264
H -7.690771 -1.246046 -0.005317
H -6.206356 -1.732010 -0.904948
H 0.375993 1.265446 0.002515
H 0.517978 -0.208684 1.023770
H 4.925776 2.424479 -1.442199
H 6.367871 0.971095 -0.008176
H 2.824426 -2.115033 1.819172
H 1.883498 -2.343157 0.308248
H 3.530228 -3.019411 0.464025
H 1.516562 1.447278 -2.639763
H 1.736631 2.818453 -1.522698
H 2.877913 2.594334 -2.870318
H 5.298134 -1.550060 2.241518
H 5.857741 -2.385255 0.778067
H 6.719232 -0.931105 1.353265


