%chk=000280336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280336

0 1
S 2.860418 0.709828 -0.068235
O -3.978441 1.227569 -0.904043
O -5.042786 1.544520 2.122238
O -4.268741 -1.679798 1.102469
O -5.235987 -0.541486 -3.078427
O -1.715451 -3.419881 0.880591
N -2.024106 1.682528 0.325091
N 0.118728 2.503234 0.059862
N -1.466115 -0.763091 0.376077
N 0.962031 -1.161919 0.186749
N -0.566529 -2.990078 0.181115
C -4.069962 0.744467 1.448454
C -3.503981 1.692185 0.356405
C -4.749234 -0.422744 0.676541
C -4.435872 -0.161509 -0.817536
C -5.651496 -0.234716 -1.746173
C -1.171836 0.572342 0.279105
C -1.167556 2.833909 0.160392
C 0.168154 1.099877 0.128469
C 1.221578 0.161434 0.088867
C -0.363458 -1.572001 0.299027
C 3.844870 -0.823818 -0.092119
C 5.246652 -0.344837 -0.270670
C 6.041880 -0.055528 0.850150
C 5.777657 -0.181750 -1.560570
C 7.355401 0.388792 0.679109
C 7.091946 0.262960 -1.724114
C 7.882801 0.548183 -0.606373
H -3.311452 0.376579 2.172047
H -3.873430 2.744827 0.447714
H -5.839749 -0.475682 0.896535
H -3.600052 -0.798472 -1.187332
H -6.223464 0.712458 -1.739519
H -6.314234 -1.085979 -1.490983
H -5.341775 1.094552 2.944266
H -3.267474 -1.729567 1.041893
H -1.577159 3.836181 0.140157
H -4.688439 0.192264 -3.438125
H 3.506210 -1.493912 -0.908964
H 3.696738 -1.398777 0.844123
H 0.199286 -3.551865 0.586391
H 5.636120 -0.173408 1.853896
H 5.165633 -0.397871 -2.435346
H 7.969068 0.612829 1.550570
H 7.500210 0.388950 -2.726016
H -2.454118 -3.409001 0.175402
H 8.906313 0.894823 -0.736762


%chk=000280336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280336

0 1
S 2.937038 0.956759 -0.228249
O -3.920515 0.806103 -1.238055
O -5.268926 1.270010 1.698066
O -3.647609 -1.870621 0.470548
O -6.401128 0.777084 -2.646931
O -1.369335 -3.406230 1.431234
N -2.069288 1.520880 0.098450
N -0.015707 2.524922 -0.203836
N -1.306427 -0.812171 0.392369
N 1.120374 -1.053045 0.262440
N -0.279794 -2.915366 0.607199
C -4.155895 0.471763 1.164338
C -3.530778 1.379095 0.063279
C -4.640730 -0.819101 0.416693
C -4.900885 -0.317068 -1.023537
C -6.312813 0.225023 -1.292320
C -1.113332 0.511443 0.182807
C -1.339977 2.712392 -0.147397
C 0.150832 1.139477 -0.001250
C 1.286950 0.279172 0.027575
C -0.150440 -1.540994 0.440165
C 3.986235 -0.650768 -0.074980
C 5.445887 -0.298059 -0.216204
C 6.222980 0.026290 0.926216
C 6.066027 -0.288653 -1.492731
C 7.592236 0.347394 0.796995
C 7.435049 0.032718 -1.624388
C 8.202027 0.351202 -0.479357
H -3.436282 0.206752 1.961913
H -3.953474 2.394819 0.168559
H -5.562601 -1.216466 0.880723
H -4.631717 -1.085615 -1.766522
H -6.582035 0.984040 -0.529078
H -7.047028 -0.598876 -1.260873
H -5.708007 0.771597 2.432254
H -2.693007 -1.431896 0.408984
H -1.843523 3.668937 -0.272288
H -5.620633 1.379904 -2.764579
H 3.624787 -1.325584 -0.865229
H 3.737026 -1.082038 0.905934
H 0.574003 -3.441668 0.808749
H 5.751526 0.026948 1.916430
H 5.473063 -0.533347 -2.382257
H 8.181725 0.592993 1.687250
H 7.902460 0.033966 -2.615254
H -2.203919 -3.346074 0.879146
H 9.264379 0.599558 -0.580603


