%chk=000207727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207727

0 1
S 3.761249 -0.317070 -1.427122
P 2.650666 0.014065 0.330228
O 2.876670 1.595258 0.677312
O -0.151372 1.065109 0.983056
O 3.026320 -0.866563 1.450194
N 1.072961 -0.264820 -0.409756
C -2.659971 0.236188 0.061822
C -3.920495 -0.432059 -0.497393
C -1.386780 -0.440597 -0.463786
C -5.190647 0.250219 0.030983
C -0.151617 0.199540 0.131555
C -6.453983 -0.407278 -0.518838
C 5.200884 -1.218973 -0.764764
C 2.217427 2.596435 -0.130011
H -2.644946 1.313905 -0.197561
H -2.664706 0.206297 1.171744
H -3.912349 -0.399739 -1.603781
H -3.935028 -1.505740 -0.227104
H -1.361987 -0.390343 -1.571400
H -1.402556 -1.522176 -0.208620
H -5.203305 0.216402 1.138602
H -5.181244 1.325129 -0.237083
H -6.516104 -1.464425 -0.236246
H -6.494277 -0.356944 -1.612762
H -7.354647 0.086192 -0.135477
H 1.023886 -0.970353 -1.170184
H 5.993212 -0.515587 -0.478130
H 5.576672 -1.877399 -1.557586
H 4.958600 -1.840680 0.112987
H 1.155048 2.654426 0.158061
H 2.353958 2.434981 -1.203353
H 2.736863 3.515999 0.183012


%chk=000207727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207727

0 1
S 3.791008 -0.391271 -1.620923
P 2.697718 0.041212 0.381668
O 2.834568 1.716728 0.746053
O -0.189112 1.011442 1.292879
O 3.209694 -0.860447 1.585250
N 1.057994 -0.215994 -0.257440
C -2.715257 0.227002 0.163836
C -3.955237 -0.413209 -0.497776
C -1.398259 -0.379622 -0.357708
C -5.285072 0.174329 0.027849
C -0.157419 0.215113 0.320830
C -6.526091 -0.459712 -0.636239
C 5.249842 -1.337841 -0.867668
C 2.346096 2.723851 -0.218731
H -2.714226 1.319209 -0.016190
H -2.761577 0.099128 1.261428
H -3.907468 -0.274789 -1.598823
H -3.948323 -1.509560 -0.320848
H -1.318112 -0.239652 -1.455410
H -1.392743 -1.475624 -0.183242
H -5.336301 0.030516 1.126059
H -5.291498 1.270167 -0.142064
H -6.557728 -1.551235 -0.457827
H -6.516641 -0.299202 -1.731064
H -7.462312 -0.025955 -0.239882
H 1.013343 -0.872348 -1.045311
H 6.144199 -0.700714 -0.892414
H 5.391144 -2.246652 -1.470452
H 4.993219 -1.607230 0.171631
H 1.244009 2.704445 -0.266452
H 2.792730 2.563380 -1.218481
H 2.686213 3.683935 0.196061


