%chk=000201000.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201000

0 1
S -2.851943 0.290060 -0.591628
P 4.099979 -0.098351 -0.131848
O -3.509639 1.217795 0.315095
O -3.185848 0.332512 -2.002843
O 2.917427 1.035938 0.184111
O 5.402151 0.868296 -0.008135
O 4.030971 -0.891659 1.309947
O 4.004112 -0.911974 -1.346687
N -3.116870 -1.339589 -0.090462
C -4.230793 -2.050577 -0.775040
C -2.943227 -1.641410 1.354890
C -1.143856 0.461907 -0.381011
C -5.627369 -1.502039 -0.486694
C -3.947688 -0.976408 2.293443
C -0.259580 -0.214923 -1.226686
C -0.653938 1.307580 0.624572
C 1.121455 -0.078195 -1.070061
C 0.716256 1.462084 0.806156
C 1.587738 0.760218 -0.048900
C 5.481219 1.666257 1.204376
C 4.245669 -2.322016 1.236260
H -4.180248 -3.126890 -0.495420
H -4.026576 -1.997053 -1.874075
H -1.905472 -1.343986 1.635277
H -2.988197 -2.748270 1.482471
H -6.397874 -2.120630 -0.959574
H -5.757393 -0.481541 -0.873428
H -5.840255 -1.467437 0.592025
H -3.740371 -1.219154 3.339266
H -4.978499 -1.290504 2.070787
H -3.938239 0.123612 2.196954
H -0.644544 -0.856619 -2.028164
H -1.355748 1.852253 1.270756
H 1.801292 -0.600815 -1.753241
H 1.125006 2.111625 1.577247
H 5.459677 1.033144 2.100748
H 4.684405 2.422319 1.215737
H 6.464051 2.149276 1.097441
H 3.746531 -2.692954 2.143438
H 5.324469 -2.519321 1.287353
H 3.799461 -2.777860 0.341046


%chk=000201000-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201000

0 1
S -2.995533 0.351900 -0.568010
P 4.234998 -0.163575 -0.138557
O -3.661140 1.458727 0.442205
O -3.331353 0.385848 -2.161925
O 2.983733 1.010529 0.160348
O 5.590433 0.867898 -0.083243
O 4.171958 -1.001322 1.373722
O 4.161188 -1.063353 -1.438130
N -3.293445 -1.419907 -0.058036
C -4.443546 -2.027628 -0.790794
C -3.123096 -1.644595 1.404079
C -1.130273 0.475001 -0.322132
C -5.833158 -1.358472 -0.665284
C -4.258889 -1.226880 2.368254
C -0.286848 -0.213670 -1.209209
C -0.658694 1.316156 0.699047
C 1.108690 -0.069304 -1.059332
C 0.736298 1.453843 0.855226
C 1.600067 0.760222 -0.020963
C 5.768161 1.822434 1.044641
C 4.663251 -2.405097 1.418193
H -4.477700 -3.074534 -0.428831
H -4.159091 -2.057284 -1.857089
H -2.184585 -1.134489 1.696540
H -2.922052 -2.730549 1.501139
H -6.562739 -1.927450 -1.271397
H -5.801470 -0.328834 -1.061703
H -6.198980 -1.322974 0.373097
H -3.921598 -1.379830 3.410796
H -5.168660 -1.833452 2.220029
H -4.511373 -0.161253 2.236367
H -0.703989 -0.833207 -2.008552
H -1.368419 1.853822 1.336376
H 1.799578 -0.580333 -1.737142
H 1.162574 2.090227 1.635239
H 5.737951 1.291258 2.012034
H 4.988368 2.600123 1.005384
H 6.763251 2.257059 0.872110
H 4.319834 -2.782414 2.392325
H 5.765584 -2.431706 1.363121
H 4.228416 -2.998230 0.595559


