%chk=000259002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259002

0 1
S 0.391086 1.504493 0.541505
O 0.789038 2.852946 0.221621
O 0.668229 0.999650 1.885358
O 4.708766 0.204548 -0.184099
O 3.616407 -0.021213 -2.131200
N 1.241455 0.411104 -0.473067
N 0.750845 -1.717666 2.161095
N -0.594748 -3.526425 1.887662
C 2.404498 -0.324009 0.022906
C 2.194649 -1.855247 0.046308
C 1.104236 -2.313333 0.941036
C -1.236636 1.257349 0.078541
C 3.582871 -0.038644 -0.926519
C -1.862157 0.017048 0.269112
C -1.962808 2.318558 -0.481701
C 0.266431 -3.430699 0.796935
C -3.923272 0.901110 -0.660032
C -3.193852 -0.162526 -0.097492
C -3.294925 2.145228 -0.850286
C -0.299213 -2.483429 2.699048
C -5.349295 0.701585 -1.043164
H 2.681905 0.033342 1.059712
H 1.991897 -2.225599 -0.985653
H 3.147096 -2.347479 0.357059
H 1.029271 0.267410 -1.463510
H -1.310567 -0.824073 0.705321
H -1.479436 3.293375 -0.630533
H 1.090040 -0.820224 2.512289
H 0.240956 -4.151151 0.000170
H -3.670644 -1.131243 0.055676
H -3.849730 2.976127 -1.283638
H -0.775047 -2.257599 3.640825
H -5.786889 1.570274 -1.553828
H -5.471719 -0.161159 -1.716372
H -5.974262 0.502643 -0.157662
H 5.508225 0.416027 -0.739524


%chk=000259002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259002

0 1
S 0.433908 1.556275 0.390856
O 0.853529 3.058464 -0.069504
O 0.756073 1.114684 1.942763
O 4.855975 -0.298908 -0.227146
O 3.588377 0.586739 -1.963811
N 1.203023 0.142944 -0.591413
N 0.634693 -1.725046 2.043888
N -0.386370 -3.747992 1.973994
C 2.452646 -0.371151 0.011964
C 2.403510 -1.926780 0.178697
C 1.244946 -2.432618 0.996606
C -1.375002 1.290802 -0.038329
C 3.656504 0.039240 -0.841059
C -1.941954 0.013923 0.119419
C -2.088072 2.414863 -0.481548
C 0.600932 -3.676902 0.976981
C -4.088124 0.977543 -0.634847
C -3.311161 -0.127117 -0.187465
C -3.458686 2.241256 -0.779224
C -0.342919 -2.548548 2.592194
C -5.562241 0.799762 -0.944807
H 2.576428 0.074334 1.021617
H 2.359362 -2.399329 -0.819558
H 3.367858 -2.222318 0.636610
H 1.354983 0.491690 -1.561723
H -1.344861 -0.842146 0.445654
H -1.588671 3.382949 -0.590528
H 0.762090 -0.716977 2.245413
H 0.790992 -4.520126 0.315767
H -3.779051 -1.112261 -0.079815
H -4.042314 3.100395 -1.127583
H -0.980522 -2.240890 3.417562
H -5.999840 1.711314 -1.384643
H -5.724875 -0.033385 -1.652617
H -6.132565 0.560405 -0.027590
H 5.624099 -0.033988 -0.802878


