%chk=000115254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115254

0 1
S -1.914987 2.240903 -0.505519
P 2.071215 2.357442 -0.477787
O 1.531623 0.947271 0.112261
O 1.163657 -2.759226 -1.477823
O 0.007582 -3.026724 0.938732
O 2.951743 3.049402 0.740082
O 3.363614 1.969422 -1.409293
O 0.981745 3.156371 -1.047052
O -4.651217 0.183626 1.066638
N -0.680206 -0.844919 0.910585
N -3.443284 -0.373941 -0.792660
C 2.541515 -1.263262 -0.101700
C 1.119160 -1.603019 -0.649245
C 2.467257 0.029635 0.750896
C 3.064668 -2.387380 0.801810
C 3.480593 -1.075579 -1.296564
C 0.102387 -1.896499 0.474258
C -1.733311 -1.062009 1.930788
C -3.038050 -1.588888 1.316128
C -3.777669 -0.500468 0.561892
C -3.927111 0.790663 -1.569612
C -2.784620 1.699758 -2.013573
H 0.770535 -0.803874 -1.345663
H 1.987817 -0.152178 1.735506
H 3.462398 0.478308 0.907136
H 2.350394 -2.662282 1.590907
H 3.245141 -3.301938 0.219950
H 4.013426 -2.126284 1.280596
H 3.231399 -0.191141 -1.898132
H 4.525465 -0.978900 -0.988971
H 3.411983 -1.939723 -1.976317
H -0.610529 0.093128 0.497183
H 1.195852 -3.580665 -0.915384
H -1.366076 -1.804858 2.681143
H -1.914564 -0.101215 2.464906
H -3.703450 -1.957754 2.128626
H -2.837159 -2.479498 0.684981
H -2.633367 -0.857811 -1.169726
H -4.673673 1.357549 -0.952402
H -4.478874 0.411910 -2.462418
H 2.547046 3.773104 1.275574
H 4.222922 2.434194 -1.211395
H -3.177672 2.578309 -2.559618
H -2.083926 1.184470 -2.694671
H -0.911790 2.973473 -1.071356


%chk=000115254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115254

0 1
S -1.751544 2.269278 -0.545100
P 2.272755 2.599881 -0.293100
O 1.706303 1.019774 -0.092368
O 0.925678 -2.903841 -1.489036
O -0.189918 -3.051691 0.941648
O 2.654445 3.267338 1.256764
O 3.868982 2.311299 -0.830822
O 1.281286 3.469233 -1.172475
O -4.538431 0.457128 1.134993
N -0.690428 -0.777427 0.961371
N -3.415060 -0.463406 -0.690937
C 2.435571 -1.334961 -0.277584
C 0.954665 -1.669654 -0.706220
C 2.481463 -0.068296 0.598667
C 3.039677 -2.492133 0.560363
C 3.262969 -1.126214 -1.570102
C -0.018784 -1.868426 0.478223
C -1.688833 -0.925143 2.039719
C -3.060723 -1.462537 1.531252
C -3.759193 -0.422042 0.656565
C -3.768928 0.615313 -1.620669
C -2.552792 1.454113 -2.065370
H 0.599073 -0.858536 -1.366397
H 1.982498 -0.214750 1.571966
H 3.525417 0.258962 0.750897
H 2.439797 -2.719239 1.459546
H 3.086780 -3.405947 -0.056180
H 4.070890 -2.246704 0.875726
H 2.929515 -0.229479 -2.121821
H 4.334744 -0.998971 -1.330985
H 3.144963 -2.002712 -2.228716
H -0.612823 0.137429 0.486246
H 0.671848 -3.621467 -0.838063
H -1.289376 -1.638552 2.780688
H -1.829094 0.057073 2.522498
H -3.705036 -1.652238 2.406165
H -2.893240 -2.420292 1.006353
H -2.772137 -1.192142 -1.007589
H -4.504105 1.250180 -1.096098
H -4.256347 0.199392 -2.524227
H 1.929784 3.802967 1.670426
H 4.488285 3.082061 -0.775722
H -2.885369 2.251106 -2.751257
H -1.796352 0.831059 -2.574326
H -0.639269 2.822115 -1.181215


