%chk=000231994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231994

0 1
S 1.550672 1.526311 -0.121552
O 2.375427 2.007339 -1.199497
O 1.043173 2.416460 0.894883
O -2.605074 -1.473431 -3.042282
O -0.663693 -0.541039 -3.044381
N 0.189735 0.818592 -0.958464
N -1.748881 -0.784780 -2.510512
C -1.080455 0.545466 -0.457612
C 2.276083 0.153965 0.620881
C -2.017938 -0.234538 -1.191260
C -3.655471 -0.052228 0.612140
C -1.480349 1.028603 0.824543
C -3.296580 -0.518198 -0.637563
C -2.723940 0.738156 1.339014
C 3.184925 -0.628446 -0.101201
C 1.966125 -0.173410 1.946097
C -4.993727 -0.347269 1.203827
C 3.775192 -1.744631 0.498027
C 2.555886 -1.288732 2.545993
C 3.458499 -2.075061 1.820227
H 0.332329 0.578710 -1.978458
H -0.808320 1.686318 1.393933
H -3.992336 -1.121241 -1.234961
H -3.010384 1.126363 2.319762
H 3.443275 -0.365258 -1.133632
H 1.268436 0.447485 2.518910
H -5.609170 -0.990101 0.559353
H -4.901968 -0.860635 2.171557
H -5.567775 0.575706 1.373228
H 4.481397 -2.355070 -0.064740
H 2.315070 -1.544635 3.577329
H 3.918236 -2.947570 2.288113


%chk=000231994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231994

0 1
S 1.592410 1.538805 -0.239950
O 2.524414 1.907269 -1.510788
O 1.132439 2.643740 0.858977
O -2.852446 -1.112908 -3.328314
O -0.778010 -0.183230 -3.256822
N 0.126702 0.789995 -1.061862
N -1.922957 -0.494988 -2.682531
C -1.114432 0.518177 -0.507439
C 2.365991 0.079229 0.686982
C -2.139468 -0.130459 -1.288006
C -3.715910 -0.135657 0.600765
C -1.451595 0.839617 0.845517
C -3.408335 -0.445006 -0.730616
C -2.707010 0.518802 1.372129
C 3.140290 -0.821110 -0.062704
C 2.164914 -0.009352 2.072820
C -5.067417 -0.462612 1.205768
C 3.734031 -1.899493 0.632422
C 2.769599 -1.096230 2.747171
C 3.544131 -2.036929 2.028691
H 0.233092 0.612701 -2.084748
H -0.729033 1.390794 1.452761
H -4.134928 -0.937834 -1.382889
H -2.925878 0.792969 2.411397
H 3.289345 -0.676444 -1.137542
H 1.587107 0.752432 2.605537
H -5.727344 -0.960252 0.475860
H -4.964804 -1.132773 2.079875
H -5.581606 0.452034 1.555997
H 4.345525 -2.623666 0.084900
H 2.639827 -1.200155 3.829177
H 4.009753 -2.874266 2.559165


