%chk=000267636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267636

0 1
S 5.835286 -0.094402 -0.184178
O -2.268799 0.148288 -0.068679
O -0.792140 -0.024931 1.675008
O 6.369997 0.426705 -1.433999
O 6.249030 0.502209 1.075609
N -0.094630 0.112901 -0.575858
C -4.603165 -0.345020 0.047740
C -3.418209 0.181600 0.880102
C -4.910937 0.636849 -1.099301
C -3.941563 2.579049 0.206195
C -3.593239 1.619394 1.361450
C -5.165411 2.053241 -0.569685
C -4.333553 -1.781966 -0.476541
C -4.194169 3.992726 0.736290
C -5.521556 -2.306124 -1.293124
C -4.042721 -2.748075 0.680153
C -1.018944 0.073088 0.489104
C 1.318672 0.065525 -0.432838
C 2.089028 0.094140 -1.618444
C 1.945158 -0.002700 0.826172
C 4.105397 -0.044374 -0.277549
C 3.477299 0.046761 -1.524171
C 3.335355 -0.045843 0.890686
C 6.179307 -1.830176 -0.114984
C 7.682479 -2.040973 -0.033713
H -5.487186 -0.378537 0.733604
H -3.159243 -0.498867 1.723214
H -4.061320 0.647187 -1.810700
H -5.791374 0.289079 -1.671577
H -3.067110 2.606571 -0.491997
H -4.383779 1.650152 2.136608
H -2.667226 1.958730 1.868483
H -6.061584 2.064114 0.078102
H -5.394982 2.731783 -1.412205
H -3.432365 -1.741023 -1.138938
H -5.046480 4.028323 1.423383
H -4.404327 4.692686 -0.080064
H -3.322810 4.378740 1.277496
H -5.709015 -1.691558 -2.180453
H -5.338790 -3.328942 -1.641722
H -6.444031 -2.324675 -0.702755
H -3.140822 -2.464116 1.234766
H -3.879535 -3.766667 0.309327
H -4.872614 -2.794629 1.392983
H -0.479985 0.195511 -1.523667
H 1.614234 0.163312 -2.593674
H 1.348404 -0.010769 1.745470
H 4.082614 0.091464 -2.438853
H 3.826499 -0.070499 1.871367
H 5.686607 -2.309873 0.753510
H 5.773532 -2.362039 -0.997802
H 8.114634 -1.570049 0.862864
H 8.203137 -1.623787 -0.909503
H 7.932945 -3.108612 0.011386


%chk=000267636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267636

0 1
S 6.004293 -0.133617 -0.083605
O -2.284509 0.211649 -0.107248
O -0.851596 -0.093950 1.741124
O 6.581289 0.588033 -1.439761
O 6.440300 0.358239 1.418230
N -0.065903 0.139017 -0.486269
C -4.671277 -0.322605 0.001546
C -3.484626 0.247366 0.810753
C -5.052937 0.653692 -1.145170
C -4.075526 2.659358 0.131415
C -3.700537 1.696158 1.282240
C -5.295210 2.095149 -0.637719
C -4.425971 -1.784003 -0.493815
C -4.338740 4.083406 0.662362
C -5.693597 -2.375625 -1.160861
C -3.959090 -2.724541 0.646158
C -1.038910 0.071234 0.509799
C 1.337966 0.053010 -0.336479
C 2.126714 0.162135 -1.517446
C 1.967246 -0.114891 0.929380
C 4.120023 -0.094443 -0.185251
C 3.530017 0.092448 -1.446752
C 3.373563 -0.182572 1.001025
C 6.481146 -2.020360 -0.212477
C 8.000848 -2.130726 -0.144113
H -5.521225 -0.353540 0.721534
H -3.237900 -0.390861 1.677028
H -4.237210 0.656399 -1.895898
H -5.962510 0.291484 -1.657533
H -3.218259 2.696590 -0.573170
H -4.521704 1.686566 2.029778
H -2.794269 2.045598 1.812390
H -6.178918 2.105926 0.036153
H -5.540374 2.757264 -1.491550
H -3.620163 -1.743042 -1.255821
H -5.188208 4.086987 1.373048
H -4.586343 4.778715 -0.161399
H -3.455363 4.486565 1.192203
H -6.000322 -1.812600 -2.059482
H -5.513563 -3.421442 -1.471339
H -6.545052 -2.378256 -0.452134
H -2.971072 -2.443132 1.051325
H -3.877952 -3.763249 0.276092
H -4.684436 -2.724365 1.483534
H -0.433781 0.277720 -1.430181
H 1.639866 0.311757 -2.488720
H 1.355095 -0.180885 1.830687
H 4.156838 0.211806 -2.336697
H 3.882356 -0.271695 1.966940
H 5.954051 -2.482890 0.637315
H 6.046286 -2.335409 -1.174532
H 8.384106 -1.727691 0.809049
H 8.474919 -1.583106 -0.976736
H 8.296132 -3.193870 -0.214856


