%chk=000217428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217428

0 1
S -4.106510 0.587699 1.037986
S -3.735292 -1.145918 -0.000850
O -3.501125 -0.457160 -1.512487
O -2.476338 -1.683333 0.396636
O -4.926301 -1.918315 -0.118746
N -0.360136 1.903757 0.254621
C 2.521747 -0.607998 0.122203
C 1.520658 0.369383 0.794497
C 3.061231 -0.017584 -1.200337
C 3.710661 -0.928622 1.052591
C 4.037629 -0.983347 -1.883861
C 4.697961 -1.893945 0.381475
C 5.207407 -1.337543 -0.955145
C 0.302317 0.615458 -0.132315
C 1.039387 -0.117969 2.178960
C 0.367224 -1.487710 2.171335
C -1.845011 1.843465 0.065513
C 0.251935 3.089381 -0.411710
C -2.421617 1.216145 1.336138
C 0.066698 3.184957 -1.928562
H 1.986695 -1.560991 -0.106713
H 2.046459 1.344014 0.955404
H 2.218479 0.210859 -1.882728
H 3.565170 0.946729 -1.002347
H 3.345747 -1.373854 1.997322
H 4.230822 0.005827 1.333379
H 4.420218 -0.533378 -2.818331
H 3.504836 -1.906447 -2.182610
H 4.208479 -2.872939 0.216116
H 5.550303 -2.088088 1.058418
H 5.870246 -2.074396 -1.444371
H 5.826420 -0.438304 -0.773947
H 0.617152 0.609300 -1.200536
H -0.412231 -0.235021 -0.024920
H 1.894925 -0.128600 2.881850
H 0.334710 0.639499 2.581505
H -0.462498 -1.534559 1.445708
H -0.047137 -1.734055 3.153700
H 1.067572 -2.284830 1.899566
H -2.254039 2.868788 -0.070510
H -2.139879 1.277647 -0.849522
H 1.339123 3.076675 -0.166808
H -0.164943 3.997028 0.079103
H -1.764650 0.403399 1.727389
H -2.494927 1.960375 2.155120
H 0.600303 4.050987 -2.335116
H -0.986529 3.289408 -2.209230
H 0.452849 2.294946 -2.439856
H -3.966398 -0.863020 -2.263176


%chk=000217428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217428

0 1
S -4.472905 0.729683 1.003835
S -3.664079 -1.433106 -0.142713
O -3.382125 -0.867984 -1.944927
O -2.177163 -1.758903 0.438759
O -4.750291 -2.634490 -0.192898
N -0.558521 1.794286 0.030562
C 2.508561 -0.643167 -0.007999
C 1.592414 0.500055 0.543203
C 3.005277 -0.366527 -1.456567
C 3.740000 -0.876664 0.913519
C 3.941611 -1.478082 -1.988429
C 4.670795 -1.994435 0.387227
C 5.149941 -1.703966 -1.052365
C 0.331879 0.678564 -0.356271
C 1.183422 0.312400 2.035013
C 0.535593 -1.049182 2.381517
C -1.995442 1.637746 -0.159823
C -0.017347 3.155113 0.157564
C -2.707131 1.293883 1.199143
C 0.318594 3.824678 -1.203006
H 1.915344 -1.583738 -0.027787
H 2.196298 1.434266 0.480446
H 2.150750 -0.265629 -2.152375
H 3.546255 0.604936 -1.468388
H 3.411719 -1.129551 1.938399
H 4.315500 0.071840 0.987242
H 4.286108 -1.220706 -3.009139
H 3.367547 -2.424053 -2.074404
H 4.124130 -2.960279 0.401313
H 5.538240 -2.109563 1.066277
H 5.777813 -2.535702 -1.426668
H 5.787206 -0.794925 -1.049311
H 0.654094 0.825631 -1.410594
H -0.272875 -0.245861 -0.329510
H 2.070812 0.468524 2.678250
H 0.472955 1.123672 2.294135
H -0.352130 -1.269017 1.761115
H 0.213579 -1.061012 3.439419
H 1.246957 -1.884361 2.246509
H -2.450103 2.561004 -0.567415
H -2.186814 0.830936 -0.890393
H 0.890974 3.130646 0.787515
H -0.763401 3.771077 0.695078
H -2.144207 0.528705 1.761920
H -2.767717 2.213256 1.810842
H 0.697754 4.849785 -1.038483
H -0.577071 3.886381 -1.846883
H 1.094775 3.255090 -1.744208
H -3.697776 -1.613455 -2.536447


