%chk=000227604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227604

0 1
S -2.275808 0.537736 1.670505
O 0.470778 -0.430998 -2.020846
O -0.067255 -2.355342 1.785826
O -0.055668 -2.765024 -0.415003
C 0.989116 0.010225 -0.757954
C 2.393671 -0.600680 -0.570550
C 1.046690 1.539903 -0.900803
C 0.021979 -0.434617 0.400717
C 3.159083 0.062216 0.577946
C 1.827222 2.194784 0.241933
C 3.226478 1.584711 0.396959
C -1.360772 0.076610 0.248040
C -0.044693 -1.947175 0.478271
C -2.118131 0.257878 -0.869947
C -3.439774 0.773147 -0.590179
C -3.677066 0.977216 0.733007
H 2.949291 -0.463478 -1.522986
H 2.343559 -1.694841 -0.426827
H 0.023383 1.958641 -0.965345
H 1.516642 1.774777 -1.879115
H 0.473730 -0.045321 1.359790
H 4.183271 -0.355472 0.630753
H 2.683995 -0.184070 1.547326
H 1.263599 2.098620 1.190406
H 1.910757 3.282889 0.053508
H 3.745127 2.044566 1.258907
H 3.839544 1.827560 -0.493022
H 0.329772 -1.411885 -2.031267
H -1.774357 0.051888 -1.881467
H -4.148099 0.965139 -1.385879
H -4.568608 1.348097 1.207637
H -0.150255 -3.344001 1.882857


%chk=000227604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227604

0 1
S -2.125888 0.821238 1.722402
O 0.527273 -0.512982 -2.107629
O -0.177949 -2.465772 1.709808
O -0.061867 -2.786341 -0.578111
C 1.027479 -0.021327 -0.809118
C 2.462618 -0.570940 -0.561010
C 1.073849 1.515918 -0.942255
C 0.053463 -0.474135 0.351966
C 3.190500 0.111831 0.623774
C 1.779366 2.207202 0.248063
C 3.207466 1.650269 0.459010
C -1.351715 0.089691 0.254324
C -0.058048 -2.000284 0.404037
C -2.221079 0.131923 -0.827988
C -3.493590 0.743532 -0.530374
C -3.612579 1.169594 0.782918
H 3.028110 -0.385279 -1.494845
H 2.437745 -1.669940 -0.421495
H 0.049655 1.905451 -1.077154
H 1.625563 1.730254 -1.878018
H 0.491252 -0.161300 1.315536
H 4.224609 -0.277841 0.688583
H 2.701556 -0.153944 1.583859
H 1.186557 2.072876 1.176128
H 1.818927 3.297503 0.063553
H 3.679807 2.123936 1.341114
H 3.830477 1.912180 -0.420975
H 0.404354 -1.501016 -2.023233
H -1.929428 -0.239519 -1.812022
H -4.290132 0.864966 -1.268500
H -4.449917 1.659471 1.276682
H -0.311232 -3.453516 1.704167


