%chk=000185210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185210

0 1
S 3.357680 1.106408 0.607682
O 4.915766 -0.809903 -0.328107
N 2.860031 -1.528649 0.414595
C 0.564770 -0.799754 -0.286120
C -0.858238 -0.537290 0.217977
C 1.485511 -1.212910 0.874443
C -1.786626 -0.108258 -0.929297
C -3.180717 0.139053 -0.419099
C 3.102795 -2.923121 -0.034205
C -4.129800 -0.894681 -0.423815
C -3.538366 1.403999 0.072983
C 3.820522 -0.578377 0.139242
C -5.422066 -0.662438 0.054688
C -4.831698 1.630709 0.550417
C -5.776438 0.599413 0.542153
C 4.915656 2.007976 0.274439
C 4.583939 3.223113 -0.559014
H 0.557030 -1.585832 -1.065318
H 0.964627 0.107104 -0.784534
H -0.848030 0.249799 0.998669
H -1.267864 -1.442869 0.707140
H 1.521833 -0.415188 1.653499
H 1.075638 -2.112933 1.388593
H -1.387193 0.803441 -1.419422
H -1.794640 -0.882787 -1.722625
H 4.137262 -3.031239 -0.417195
H 2.983768 -3.616528 0.814430
H 2.409516 -3.214157 -0.839054
H -3.860765 -1.879101 -0.800163
H -2.807518 2.209961 0.083626
H -6.155074 -1.467379 0.047253
H -5.104373 2.614128 0.929840
H -6.782885 0.778387 0.913180
H 5.632359 1.330628 -0.244248
H 5.368978 2.277338 1.246663
H 4.146168 2.951778 -1.530482
H 3.874211 3.896333 -0.059891
H 5.489331 3.810427 -0.770322


%chk=000185210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185210

0 1
S 3.290387 1.263898 0.910369
O 5.027130 -0.603765 -0.157349
N 2.870675 -1.395868 0.295098
C 0.524853 -0.692234 -0.351991
C -0.914176 -0.504134 0.175153
C 1.488113 -1.159066 0.765181
C -1.895353 -0.020550 -0.929071
C -3.313023 0.159244 -0.405301
C 3.188882 -2.743051 -0.218628
C -4.243245 -0.911742 -0.441118
C -3.722297 1.387659 0.175877
C 3.850226 -0.424477 0.259845
C -5.544424 -0.763037 0.090351
C -5.022002 1.542433 0.708695
C -5.938528 0.465920 0.668724
C 4.921645 2.183705 0.611841
C 5.030436 2.739085 -0.813605
H 0.525304 -1.433536 -1.176759
H 0.900309 0.260871 -0.771772
H -0.916575 0.231109 1.005055
H -1.291464 -1.456842 0.599905
H 1.501645 -0.414933 1.582858
H 1.119873 -2.107889 1.201916
H -1.515827 0.934587 -1.342111
H -1.885228 -0.755622 -1.757967
H 4.219816 -2.739147 -0.602877
H 3.106555 -3.493962 0.589886
H 2.497238 -3.020927 -1.035796
H -3.946103 -1.866428 -0.893870
H -3.018131 2.229027 0.205502
H -6.250588 -1.600442 0.049809
H -5.321276 2.500277 1.149636
H -6.947942 0.584749 1.078391
H 5.718935 1.450959 0.816786
H 4.934101 2.974792 1.380338
H 5.023259 1.914728 -1.546483
H 4.199787 3.428166 -1.046788
H 5.982111 3.293042 -0.931129


