%chk=000291458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291458

0 1
S 1.948097 1.013343 1.472392
O 1.151633 1.063340 2.679998
O 3.033042 1.957549 1.299728
O 1.722770 2.880252 -3.013304
O 2.610770 1.005486 -2.173779
O -5.387475 0.604908 0.492192
O -4.906870 -1.444638 0.022595
N 0.891448 1.377295 0.132776
N -4.593145 -0.282818 0.219091
C -0.493605 0.972171 0.142760
C -0.863032 -0.178320 -0.644910
C -1.441370 1.666046 0.889700
C -2.214203 -0.630315 -0.642072
C 1.232376 2.508240 -0.743556
C -3.162278 0.102999 0.146885
C -2.789308 1.212422 0.877350
C 2.450939 -0.597913 1.174218
C 0.095601 -0.887636 -1.437991
C -1.100773 2.843361 1.736968
C -2.564642 -1.771250 -1.430307
C -0.270345 -1.978239 -2.184531
C -1.621024 -2.426435 -2.180112
C 3.326879 -0.881550 0.119806
C 1.989953 -1.630090 2.002896
C 1.934996 1.989614 -1.988442
C 3.745195 -2.197037 -0.103113
C 2.407561 -2.943247 1.779161
C 3.286379 -3.225531 0.725827
H 1.935994 3.226350 -0.233775
H 0.335098 3.104150 -1.042750
H -3.538156 1.763845 1.462802
H 1.135904 -0.543628 -1.445075
H -0.514949 3.600147 1.201122
H -1.984579 3.351828 2.143753
H -0.491467 2.520154 2.610454
H -3.600670 -2.129160 -1.421872
H 0.462546 -2.512626 -2.788389
H -1.891958 -3.296019 -2.779549
H 3.681423 -0.078986 -0.543187
H 1.304131 -1.407377 2.829662
H 4.427476 -2.416631 -0.923940
H 2.049584 -3.746375 2.422441
H 3.613067 -4.252191 0.551804
H 2.180284 2.621909 -3.858422


%chk=000291458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291458

0 1
S 1.849905 0.923917 1.494746
O 0.901248 0.799421 2.815377
O 3.046617 2.033339 1.436615
O 2.045229 3.412848 -2.819249
O 2.678941 1.241140 -2.287987
O -5.529547 0.775416 0.651223
O -5.138314 -1.401349 0.129318
N 0.797269 1.314764 -0.096800
N -4.734129 -0.186156 0.308496
C -0.590041 0.967115 0.001526
C -1.005974 -0.241253 -0.684764
C -1.519582 1.747750 0.732831
C -2.385067 -0.700086 -0.612633
C 1.236903 2.556929 -0.734867
C -3.291501 0.135373 0.137175
C -2.872406 1.312247 0.766876
C 2.539837 -0.799101 1.150828
C -0.060220 -0.987196 -1.462727
C -1.128561 2.985134 1.517832
C -2.747129 -1.896827 -1.318056
C -0.445558 -2.144293 -2.138459
C -1.796095 -2.599114 -2.062608
C 3.448480 -0.962513 0.092623
C 2.125338 -1.826686 2.012322
C 2.050049 2.280581 -2.001809
C 3.977215 -2.259099 -0.104511
C 2.668786 -3.113856 1.793092
C 3.590352 -3.326595 0.741294
H 1.913203 3.126016 -0.055860
H 0.389874 3.215060 -0.993300
H -3.617024 1.896454 1.314367
H 0.964269 -0.609996 -1.520848
H -0.544940 3.706033 0.919572
H -2.023966 3.509493 1.889201
H -0.509227 2.701480 2.388158
H -3.772693 -2.259699 -1.256254
H 0.286143 -2.701178 -2.733190
H -2.094948 -3.508701 -2.594797
H 3.714980 -0.130154 -0.565108
H 1.415313 -1.621310 2.819456
H 4.687036 -2.430253 -0.920224
H 2.371527 -3.942427 2.443895
H 4.007734 -4.326287 0.579570
H 2.623971 3.261013 -3.615039


