%chk=000182474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182474

0 1
S -0.508342 1.383893 -0.824472
P -2.170416 2.034463 0.282255
O -3.497565 1.570242 -0.586543
O -2.117044 1.533562 1.686707
C 0.395111 0.333701 0.417649
C -0.231555 -1.028684 0.398480
C 1.840726 0.401811 0.017428
C -1.183035 -1.339314 1.387563
C 2.803813 0.525441 1.034348
C 0.097718 -1.993592 -0.564523
C 2.256790 0.349991 -1.321273
C -2.219801 3.858271 -0.029071
C -1.791391 -2.595054 1.408139
C 4.161143 0.596401 0.714188
C -0.516038 -3.249750 -0.540007
C 3.617290 0.427157 -1.635885
C -4.042110 0.249569 -0.300326
C -1.459863 -3.554035 0.444605
C 4.571419 0.549730 -0.622183
C -3.510408 -0.739146 -1.319505
H 0.263623 0.794897 1.438477
H -1.458511 -0.588188 2.139374
H 2.494491 0.562863 2.078391
H 0.836264 -1.774541 -1.334689
H 1.531842 0.251635 -2.130668
H -2.475858 4.081326 -1.075207
H -2.980259 4.338793 0.604640
H -1.255067 4.335896 0.191459
H -2.523889 -2.828022 2.179422
H 4.900768 0.689625 1.507990
H -0.252613 -3.993504 -1.290044
H 3.932366 0.392056 -2.677764
H -3.841493 -0.058167 0.744734
H -5.128600 0.434833 -0.427882
H -1.932583 -4.533719 0.464367
H 5.629084 0.608862 -0.870952
H -4.182546 -1.596850 -1.433298
H -3.403657 -0.265790 -2.306201
H -2.520605 -1.135761 -1.049523


%chk=000182474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182474

0 1
S -0.449864 1.078110 -1.239186
P -2.057269 2.119351 0.053366
O -3.568879 1.667797 -0.673770
O -1.860497 1.766537 1.607724
C 0.468357 0.164564 0.230335
C -0.026437 -1.272284 0.344796
C 1.968670 0.342240 0.059194
C -1.135733 -1.540177 1.192125
C 2.756667 0.583238 1.214242
C 0.582135 -2.348715 -0.349771
C 2.618039 0.236040 -1.197675
C -2.054001 3.916719 -0.403347
C -1.628582 -2.855402 1.334414
C 4.160489 0.711391 1.117084
C 0.083466 -3.663064 -0.211466
C 4.020134 0.369380 -1.297986
C -4.001621 0.242369 -0.598183
C -1.023586 -3.922467 0.629490
C 4.797775 0.603972 -0.140185
C -5.277263 0.136264 -1.427528
H 0.113860 0.723896 1.116385
H -1.600222 -0.707641 1.736609
H 2.267539 0.669970 2.191922
H 1.454776 -2.164219 -0.984744
H 2.021254 0.076021 -2.103931
H -2.172249 4.013109 -1.492612
H -2.890150 4.413133 0.113566
H -1.096221 4.355843 -0.087506
H -2.477718 -3.049164 1.999950
H 4.753343 0.900169 2.019109
H 0.563981 -4.486511 -0.752208
H 4.505003 0.293457 -2.277790
H -3.191671 -0.397842 -0.999362
H -4.176658 -0.020284 0.461958
H -1.404015 -4.944199 0.740728
H 5.885761 0.708054 -0.218113
H -5.652244 -0.903750 -1.404364
H -6.062013 0.799642 -1.025681
H -5.085152 0.415354 -2.477386


