%chk=000249018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249018

0 1
S -2.101610 0.560485 0.662927
S -0.950069 0.618498 -1.101616
S 0.530357 -1.880639 -1.504983
O -1.561036 1.620030 1.472732
O -2.132856 -0.770767 1.177633
N 1.497634 0.144890 -0.062099
C 1.498735 1.539462 0.474857
C 2.734389 -0.651636 0.234843
C 0.513585 -0.404732 -0.790351
C 2.015792 2.524984 -0.567354
C 2.555480 -1.466029 1.510418
C -3.630337 1.016498 -0.012418
H 0.481499 1.840722 0.832888
H 2.138814 1.561949 1.387335
H 2.968911 -1.324803 -0.627062
H 3.592868 0.049965 0.326799
H 3.024471 2.274754 -0.915352
H 1.366062 2.560471 -1.453264
H 2.048500 3.541170 -0.153669
H 2.333390 -0.839448 2.381692
H 1.728340 -2.187917 1.414778
H 3.459462 -2.044913 1.734656
H -3.643988 2.030019 -0.447363
H -3.980404 0.343268 -0.815816
H -4.446988 1.013017 0.729489


%chk=000249018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249018

0 1
S -2.108714 1.846456 0.191668
S -1.017671 -0.271111 -1.109072
S 0.962021 -2.087118 -1.999439
O -2.034899 3.262098 -0.636701
O -1.691443 1.849307 1.788277
N 1.593287 -0.201631 -0.071229
C 1.255768 0.920389 0.851767
C 2.999500 -0.698474 -0.035916
C 0.701046 -0.761376 -0.908122
C 1.467678 2.304679 0.205915
C 3.202509 -1.795557 1.028040
C -3.938912 1.273789 0.125017
H 0.215470 0.810370 1.209593
H 1.904307 0.806256 1.739109
H 3.248718 -1.085882 -1.040448
H 3.647339 0.173894 0.164258
H 2.520223 2.453447 -0.096757
H 0.825694 2.440510 -0.680986
H 1.199650 3.089282 0.934199
H 2.947446 -1.430927 2.039115
H 2.575724 -2.675097 0.803513
H 4.259677 -2.115998 1.037184
H -4.207742 1.208080 -0.937993
H -3.978176 0.302064 0.634923
H -4.507500 2.051847 0.653788


