%chk=000183570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183570

0 1
S 1.609941 0.399834 -2.301869
P 1.583093 0.090805 -0.420443
O 2.772364 0.710828 0.506381
O 0.317812 0.934977 0.359650
O -5.628784 -0.166255 -1.333549
O -5.838208 1.668270 -0.208307
N -5.171614 0.759454 -0.680029
C 3.247818 2.086852 0.213252
C 4.732674 1.979358 0.577642
C 1.451680 -1.627667 0.168549
C 2.461938 3.020288 1.118395
C 5.581313 1.539406 -0.608984
C 1.383657 -1.863367 1.543871
C 1.439419 -2.676016 -0.753374
C -0.990963 0.808963 0.008301
C 1.290188 -3.181331 2.004526
C 1.345401 -3.991091 -0.283657
C -1.544314 -0.238776 -0.748183
C -1.794345 1.843891 0.545734
C 1.270161 -4.241117 1.090970
C -2.918271 -0.243099 -0.974158
C -3.159463 1.825444 0.317860
C -3.723641 0.778554 -0.441997
H 3.101293 2.332580 -0.863805
H 5.097031 2.947513 0.972941
H 4.843625 1.251486 1.412132
H 2.554150 2.732514 2.174150
H 2.803093 4.057319 1.019903
H 1.385685 3.006123 0.886895
H 5.539078 2.259412 -1.434968
H 5.247791 0.570506 -1.004163
H 6.634263 1.428997 -0.324265
H 1.403953 -1.043726 2.268774
H 1.502927 -2.501402 -1.833780
H 1.234244 -3.381998 3.073575
H 1.332928 -4.820548 -0.989916
H -0.941563 -1.041157 -1.171872
H -1.321706 2.635009 1.126542
H 1.196607 -5.267857 1.452530
H -3.382079 -1.042748 -1.565502
H -3.810679 2.612373 0.717147


%chk=000183570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183570

0 1
S 1.669290 0.558968 -2.581486
P 1.557174 0.232331 -0.544759
O 2.801199 0.880835 0.446753
O 0.196195 1.054598 0.309346
O -5.817779 -0.221876 -1.472760
O -6.161364 1.109708 0.349297
N -5.386857 0.499484 -0.488851
C 3.483725 2.174820 0.065146
C 4.890095 2.075925 0.676500
C 1.453380 -1.506295 0.059426
C 2.657798 3.358385 0.582155
C 5.749397 0.945130 0.076653
C 1.436217 -1.757779 1.452991
C 1.398911 -2.561408 -0.878353
C -1.162558 0.872408 0.034300
C 1.359949 -3.092273 1.905840
C 1.321207 -3.892757 -0.412967
C -1.669895 0.104327 -1.046700
C -2.045734 1.530189 0.931505
C 1.300976 -4.157789 0.975896
C -3.060579 -0.016752 -1.215072
C -3.433092 1.411614 0.762450
C -3.929026 0.632998 -0.310349
H 3.546618 2.193508 -1.043054
H 5.384229 3.055589 0.518865
H 4.787792 1.942893 1.770883
H 2.575470 3.323193 1.682600
H 3.147485 4.307490 0.296079
H 1.639755 3.350704 0.157435
H 5.883210 1.079046 -1.013084
H 5.272397 -0.035838 0.243057
H 6.751835 0.923924 0.540626
H 1.483533 -0.928149 2.165188
H 1.425275 -2.338977 -1.951537
H 1.345935 -3.300208 2.980811
H 1.277872 -4.717500 -1.131740
H -0.990498 -0.369844 -1.760535
H -1.620786 2.119922 1.748397
H 1.239424 -5.191280 1.333808
H -3.483368 -0.600117 -2.037090
H -4.136311 1.903452 1.439233


