%chk=000217088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217088

0 1
S -1.695038 -0.756305 1.104630
S 1.273900 1.075112 -0.173914
S 4.310185 0.919658 0.110358
S -4.875062 -0.125751 2.324357
P -3.684852 -0.227021 0.844117
O -3.395299 1.161102 -0.023346
O -4.055525 -1.290955 -0.374004
N 1.286927 -1.488122 -0.455393
N 2.576818 -1.142600 -0.285587
C -1.022895 -0.547530 -0.602629
C 0.429569 -0.473139 -0.428786
C 2.779619 0.164890 -0.124288
C 5.479908 -0.479937 0.121309
C -4.497968 2.077554 -0.202631
C -5.435683 -1.693713 -0.521056
C 6.812678 0.169795 -0.018361
C 7.600472 0.454816 1.018008
H -1.444015 0.352678 -1.105909
H -1.319711 -1.431523 -1.220368
H 5.365654 -1.066098 1.055702
H 5.262489 -1.186227 -0.708247
H -4.008311 2.935026 -0.689360
H -4.928835 2.393749 0.757236
H -5.254911 1.649403 -0.868646
H -5.824770 -2.160002 0.394401
H -5.367285 -2.446210 -1.322179
H -6.059960 -0.853938 -0.843758
H 7.110047 0.399117 -1.045794
H 8.569822 0.922837 0.910842
H 7.344129 0.245734 2.047994


%chk=000217088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217088

0 1
S -1.932874 -0.877902 1.322904
S 1.189642 1.093432 1.183827
S 4.275414 0.951257 1.730327
S -5.514014 -0.164605 1.935815
P -3.930738 -0.052424 0.622050
O -3.384103 1.493384 0.054939
O -4.184653 -0.760129 -0.959193
N 1.481921 -1.178258 -0.202841
N 2.772100 -0.862754 0.255102
C -0.880862 -0.408834 -0.232144
C 0.549304 -0.297782 0.158055
C 2.805016 0.261622 0.981603
C 5.552228 -0.408076 1.209297
C -4.398240 2.415071 -0.515114
C -4.914516 -2.043537 -1.040665
C 5.968802 -0.283808 -0.225669
C 7.210431 0.097171 -0.621238
H -1.300899 0.539300 -0.599767
H -1.002594 -1.209290 -0.974311
H 6.382058 -0.250594 1.917461
H 5.038891 -1.360586 1.414505
H -3.841817 3.340397 -0.724272
H -5.199202 2.608980 0.221079
H -4.819766 1.995942 -1.444990
H -4.303754 -2.865543 -0.624930
H -5.081435 -2.202300 -2.116426
H -5.879052 -1.980518 -0.504636
H 5.202048 -0.547917 -0.964435
H 7.479035 0.148602 -1.681955
H 7.993728 0.362100 0.100321


