%chk=000209057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209057

0 1
S -5.356578 0.547965 -1.256916
S -6.163134 -0.423150 0.366424
O -5.136127 -1.751461 0.361265
O -5.881069 0.305605 1.554429
O -7.449831 -0.935515 0.033797
N -1.438885 0.628391 -0.167285
C 6.001242 -0.188042 0.702580
C 6.569114 1.076998 -0.000796
C 7.309897 -0.954043 0.356734
C 7.880207 0.318650 -0.310812
C 4.730989 -0.777464 0.096222
C 3.494801 0.060341 0.448783
C 2.223173 -0.522451 -0.182307
C 0.990432 0.317837 0.172898
C -0.279862 -0.272131 -0.460339
C -2.731824 0.042209 -0.641089
C -3.769906 1.162020 -0.605444
H 5.874406 -0.042988 1.791737
H 6.010911 1.397192 -0.886279
H 6.685056 1.945209 0.654198
H 7.870883 -1.305405 1.227672
H 7.181612 -1.802339 -0.322518
H 8.102153 0.211737 -1.377500
H 8.769434 0.728891 0.178773
H 4.600933 -1.816095 0.458551
H 4.834293 -0.855549 -1.003707
H 3.641774 1.104126 0.108348
H 3.379357 0.117079 1.548405
H 2.080977 -1.567074 0.155820
H 2.340686 -0.573640 -1.282420
H 0.879001 0.381717 1.272231
H 1.126363 1.362329 -0.175643
H -0.436965 -1.313785 -0.105771
H -0.162556 -0.322925 -1.566220
H -1.493732 0.804968 0.843012
H -2.599873 -0.328958 -1.683513
H -3.065747 -0.834937 -0.036810
H -3.460685 2.010286 -1.256330
H -3.896277 1.587853 0.411846
H -5.542943 -2.628449 0.458774


%chk=000209057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209057

0 1
S -5.353756 0.471810 -1.512072
S -6.515680 -0.021250 0.633976
O -6.569746 -1.874279 0.449089
O -5.464512 0.336624 1.821950
O -8.046027 0.485964 0.774044
N -1.425398 0.230871 -0.257233
C 6.154327 -0.164195 0.615875
C 6.643478 1.232224 0.078089
C 7.561735 -0.753365 0.239242
C 8.120808 0.710507 0.159810
C 4.901800 -0.795388 -0.008073
C 3.601818 -0.031579 0.334042
C 2.341718 -0.659355 -0.302568
C 1.047639 0.116996 0.028487
C -0.207422 -0.531495 -0.586726
C -2.699277 -0.225713 -0.821936
C -3.731421 0.912305 -0.698319
H 6.041408 -0.124786 1.718250
H 6.321125 1.391819 -0.968239
H 6.387597 2.128569 0.667755
H 8.036439 -1.441113 0.959308
H 7.540135 -1.239304 -0.754049
H 8.788788 0.951471 -0.683547
H 8.614342 1.015012 1.099730
H 4.810452 -1.848759 0.332418
H 5.027311 -0.832327 -1.110957
H 3.698129 1.021406 -0.002311
H 3.477808 0.003585 1.436776
H 2.243358 -1.709817 0.042697
H 2.473059 -0.704036 -1.403828
H 0.929535 0.172729 1.131747
H 1.127341 1.159717 -0.335868
H -0.277786 -1.594257 -0.246405
H -0.110794 -0.560556 -1.690663
H -1.483507 0.514317 0.729190
H -2.534618 -0.470991 -1.888699
H -3.110155 -1.142352 -0.338335
H -3.369235 1.850627 -1.157099
H -3.954778 1.115338 0.371045
H -7.324337 -2.201972 1.024205


