%chk=000293070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293070

0 1
S -3.310429 1.292709 0.356764
O 2.952360 0.406353 -1.937222
O 4.486774 -1.880257 1.333715
O 4.645812 1.354258 -0.079334
O -4.093861 1.743760 1.487134
O -3.292399 2.028626 -0.884938
N -1.711094 1.250288 1.006013
C 3.038347 -0.027993 1.055172
C 1.853128 0.444998 0.261668
C -0.511957 1.077736 0.263109
C 0.647101 0.668248 0.946843
C 1.869245 0.655402 -1.130290
C 3.543897 -1.446075 0.710717
C 4.219531 0.948614 0.982873
C -0.468705 1.291990 -1.133022
C 0.714509 1.075361 -1.820945
C -3.652913 -0.366194 0.030291
C 2.830594 -2.216541 -0.340755
C 4.831109 1.329135 2.287874
C -4.297873 -1.142970 0.999332
C -3.301247 -0.929675 -1.200702
C -4.581084 -2.487045 0.742112
C -3.583053 -2.274337 -1.459121
C -4.221394 -3.052063 -0.486802
H 2.718954 -0.108802 2.135287
H 0.608399 0.513371 2.023564
H -1.582333 1.458464 2.004263
H -1.345051 1.671525 -1.673545
H 0.780967 1.236167 -2.898518
H 1.744252 -2.253631 -0.175844
H 3.202770 -3.249412 -0.409859
H 2.969056 -1.750588 -1.339123
H 5.230990 0.439034 2.807066
H 4.117128 1.812914 2.967490
H 5.675068 2.025532 2.150798
H -4.591363 -0.697149 1.956844
H -2.812820 -0.320362 -1.969054
H 3.824100 0.697217 -1.498979
H -5.084372 -3.091925 1.495465
H -3.309044 -2.713577 -2.417802
H -4.442400 -4.101506 -0.688439


%chk=000293070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293070

0 1
S -3.563115 1.298190 -0.089085
O 2.920778 0.884410 -1.919768
O 2.661110 -2.402395 1.608857
O 4.569058 0.653713 0.051944
O -4.723918 1.645094 0.998944
O -3.706326 1.610324 -1.678027
N -1.948677 2.356545 0.524246
C 2.405732 -0.043705 1.000805
C 1.496519 0.821445 0.123202
C -0.727753 1.921921 -0.045880
C 0.248585 1.185978 0.681537
C 1.753520 1.191912 -1.239687
C 2.333428 -1.603582 0.696999
C 3.909106 0.292078 1.074654
C -0.459437 2.256165 -1.406722
C 0.758322 1.882131 -1.985519
C -3.152190 -0.552078 0.063345
C 1.873276 -2.048921 -0.671496
C 4.577627 0.087766 2.408882
C -3.459038 -1.199133 1.272461
C -2.567233 -1.192103 -1.042365
C -3.151287 -2.575940 1.375718
C -2.264691 -2.568920 -0.917711
C -2.551622 -3.254084 0.287182
H 2.037112 0.022747 2.040511
H 0.023658 0.889022 1.715802
H -2.004016 2.215578 1.553007
H -1.209470 2.818389 -1.970380
H 0.997284 2.141107 -3.021009
H 0.805830 -1.789965 -0.807652
H 1.999701 -3.138027 -0.767591
H 2.425233 -1.521982 -1.471337
H 4.312680 -0.915752 2.795684
H 4.191111 0.822150 3.141539
H 5.668604 0.195508 2.320918
H -3.953831 -0.654825 2.083984
H -2.387089 -0.638487 -1.969650
H 3.700471 0.761497 -1.264648
H -3.387910 -3.116719 2.297951
H -1.820948 -3.104472 -1.763851
H -2.319495 -4.320979 0.374306


