%chk=000283557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283557

0 1
S -0.066371 2.467369 0.228536
O 0.346034 3.713901 -0.385098
O 0.588891 2.009955 1.434180
O -1.593570 -4.798678 -1.527003
O -1.640542 -4.717382 0.731404
N 0.170962 1.273318 -1.018216
C 2.437282 1.095898 -2.120317
C 3.283342 1.753029 -1.023328
C 1.010425 1.661182 -2.190818
C 4.745070 1.290951 -1.092121
C 5.583216 1.933412 0.021307
C -0.148781 -0.095537 -0.848029
C 7.047043 1.475402 -0.039907
C -1.768385 2.454539 0.452798
C -0.295791 -0.646616 0.446463
C -0.376053 -0.915993 -1.980989
C 7.884109 2.113135 1.066938
C -2.331776 1.811903 1.563386
C -2.600170 3.106893 -0.465760
C -0.708909 -1.964537 0.596485
C -0.785366 -2.232686 -1.817254
C -0.969618 -2.766212 -0.529789
C -3.712596 1.807408 1.747513
C -3.983127 3.106504 -0.288100
C -4.550933 2.452775 0.819553
C -6.028063 2.437534 1.019932
C -1.418396 -4.151848 -0.318011
C -2.006215 -6.200654 -1.492660
C -0.813615 -7.079286 -1.175670
H 2.406054 -0.000924 -1.961344
H 2.922448 1.241725 -3.106265
H 3.230862 2.856792 -1.109759
H 2.862634 1.512615 -0.024725
H 1.041299 2.777975 -2.254722
H 0.510971 1.308716 -3.122702
H 4.795339 0.187928 -1.010238
H 5.176068 1.542627 -2.079866
H 5.151717 1.682708 1.010253
H 5.530474 3.036645 -0.054041
H 7.099359 0.372046 0.041477
H 7.479661 1.727401 -1.027647
H -0.029007 -0.071350 1.338919
H -0.243324 -0.511359 -2.982427
H 7.501933 1.853321 2.060955
H 7.883696 3.206625 0.993531
H 8.926455 1.780111 1.018083
H -1.684589 1.314528 2.296205
H -2.166248 3.628561 -1.325640
H -0.825579 -2.395005 1.596765
H -0.972137 -2.865955 -2.690207
H -4.143940 1.302563 2.610702
H -4.621947 3.615110 -1.007971
H -6.422637 1.409357 0.999192
H -6.306895 2.865742 1.995149
H -6.574371 3.004680 0.254079
H -2.821633 -6.310465 -0.755315
H -2.383799 -6.331191 -2.522771
H -1.054045 -8.141930 -1.291638
H 0.039121 -6.852266 -1.827904
H -0.476538 -6.927009 -0.138654


%chk=000283557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283557

0 1
S -0.101674 2.688695 0.120572
O 0.231090 4.095777 -0.624483
O 0.671327 2.319170 1.508469
O -1.314423 -4.848537 -1.562322
O -1.544145 -4.588992 0.749779
N 0.137644 1.412018 -1.247679
C 2.420615 1.320531 -2.367359
C 3.243582 1.761817 -1.137543
C 0.978345 1.877392 -2.373850
C 4.697343 1.239382 -1.170963
C 5.521569 1.667851 0.063859
C -0.152780 0.051576 -1.000566
C 6.977201 1.148388 0.038465
C -1.953188 2.569104 0.449855
C -0.403756 -0.463335 0.307261
C -0.238335 -0.844830 -2.113456
C 7.791676 1.580044 1.277255
C -2.365740 2.230930 1.746850
C -2.839552 2.899362 -0.586953
C -0.768993 -1.807385 0.480987
C -0.595939 -2.188030 -1.923071
C -0.878683 -2.688430 -0.625110
C -3.753481 2.200892 2.004933
C -4.221473 2.857413 -0.302720
C -4.697791 2.503894 0.988816
C -6.186605 2.432175 1.271060
C -1.269687 -4.097295 -0.376458
C -1.680280 -6.287803 -1.415209
C -0.445190 -7.133797 -1.090363
H 2.400104 0.214424 -2.427811
H 2.915181 1.679427 -3.293738
H 3.249829 2.869579 -1.076275
H 2.751548 1.405548 -0.210050
H 0.997886 2.982584 -2.316631
H 0.455531 1.620218 -3.316590
H 4.687715 0.131027 -1.238554
H 5.200328 1.603649 -2.091872
H 5.018658 1.304438 0.983833
H 5.529526 2.775614 0.133930
H 6.967798 0.041208 -0.031782
H 7.478974 1.513776 -0.881216
H -0.255726 0.169472 1.186035
H -0.040346 -0.480541 -3.125075
H 7.326220 1.203062 2.207501
H 7.842757 2.682730 1.352969
H 8.827571 1.195270 1.237059
H -1.626872 2.012856 2.524508
H -2.471605 3.181292 -1.578172
H -0.957933 -2.203679 1.484222
H -0.667390 -2.863089 -2.780575
H -4.104658 1.939263 3.009371
H -4.938112 3.106127 -1.093535
H -6.571817 1.412545 1.076797
H -6.411962 2.672207 2.324411
H -6.756746 3.126400 0.630065
H -2.444171 -6.377748 -0.622776
H -2.113622 -6.547945 -2.394627
H -0.720916 -8.204749 -1.067757
H 0.339749 -6.994921 -1.853890
H -0.036677 -6.862019 -0.102933


