%chk=000266209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266209

0 1
S -4.774767 0.047207 -0.301832
O 2.446785 -2.425792 -1.693649
O 3.789192 0.472511 -1.661512
O 3.926248 2.341564 0.268157
N -0.013575 -1.363155 0.140730
N -2.200929 -1.955323 -0.293822
N -0.390073 1.105003 0.508236
N -2.748788 1.717041 0.278784
C 1.445629 -1.554540 0.253043
C 3.192588 0.157473 0.756010
C 2.096756 -0.728728 1.383756
C 2.172763 -1.167672 -1.065533
C 3.485292 -0.465788 -0.633923
C 2.727356 1.614286 0.647215
C -0.765180 -0.186384 0.225497
C -0.945361 -2.403095 -0.194966
C -2.138332 -0.578022 -0.039230
C -3.111051 0.445096 0.003260
C -1.416458 1.990181 0.516858
C -5.648144 1.613522 -0.150899
H 1.620979 -2.654849 0.432395
H 4.120139 0.138259 1.376780
H 2.534448 -1.406351 2.139728
H 1.352753 -0.120969 1.936330
H 1.574890 -0.529049 -1.749196
H 4.331948 -1.186406 -0.591622
H 2.366352 2.011842 1.610599
H 1.957155 1.755924 -0.134126
H 2.898082 -2.280072 -2.555185
H 4.231166 1.286018 -1.281338
H -0.618824 -3.426072 -0.344901
H 3.705984 3.275662 0.086886
H -1.173383 3.042592 0.736474
H -5.287478 2.356630 -0.875603
H -5.532394 2.054337 0.848872
H -6.713468 1.425921 -0.335274


%chk=000266209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266209

0 1
S -4.953178 -0.157184 -0.074097
O 2.072844 -1.874539 -2.133529
O 4.260484 0.232142 -1.550245
O 4.173641 2.259132 0.177919
N -0.056989 -1.379333 0.146028
N -2.242558 -2.100420 0.027820
N -0.455373 1.080165 0.130799
N -2.845685 1.619690 0.022746
C 1.414834 -1.456867 0.184194
C 3.292131 0.088630 0.834207
C 2.062452 -0.702325 1.398482
C 2.102695 -0.878490 -1.068489
C 3.525420 -0.553834 -0.568937
C 2.978457 1.594970 0.768017
C -0.848262 -0.227885 0.111300
C -0.948777 -2.462070 0.084642
C -2.201908 -0.696461 0.045041
C -3.208432 0.304212 0.003850
C -1.514982 1.939019 0.082339
C -5.741066 1.552606 -0.107495
H 1.664189 -2.532873 0.219710
H 4.184325 -0.041622 1.471732
H 2.371568 -1.422063 2.174848
H 1.329917 -0.017240 1.857898
H 1.608635 0.060053 -1.392725
H 4.068210 -1.514142 -0.441540
H 2.806540 1.983816 1.791207
H 2.076417 1.790445 0.156664
H 2.635708 -1.536298 -2.876401
H 4.425682 1.139872 -1.152060
H -0.590936 -3.489699 0.074459
H 4.023341 3.232602 0.100787
H -1.279837 3.007316 0.090369
H -5.396371 2.103221 -0.993296
H -5.469083 2.105191 0.802086
H -6.825754 1.369065 -0.151332


