%chk=000275446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275446

0 1
S 3.079615 1.513237 1.472619
O 2.343296 2.568335 2.131850
O 4.241744 0.912636 2.082023
O -4.341372 -1.746275 -2.550564
O -2.717670 -2.870585 -1.675515
O -6.478395 1.701911 2.097303
O -7.197643 0.949854 0.197790
N 1.863070 0.283220 1.284426
N -0.344194 -1.302737 0.753588
N -3.575856 -2.005402 -1.639378
N -6.363816 1.040627 1.080544
C 3.436879 1.963741 -0.142878
C 2.055485 -1.072211 0.985937
C 0.933107 -1.907394 0.669390
C 2.721173 3.003596 -0.751642
C 4.447966 1.308089 -0.856949
C 4.012142 2.714833 -2.785720
C 3.002561 3.377604 -2.063947
C 4.734602 1.676546 -2.170011
C 3.351647 -1.643358 0.973899
C 1.156854 -3.254924 0.307703
C -2.712182 -1.155700 0.591972
C 3.532592 -2.972178 0.621865
C -3.720618 -1.209605 -0.396978
C 2.438116 -3.783567 0.274431
C 4.303921 3.100072 -4.195490
C -1.445994 -1.918270 0.460185
C -2.931112 -0.365497 1.737528
C -4.914749 -0.485194 -0.245917
C -5.103223 0.281661 0.905800
C -4.111405 0.349096 1.903382
H 0.872608 0.563590 1.421191
H 1.941082 3.533423 -0.191619
H 5.024278 0.505615 -0.382601
H 2.440547 4.185504 -2.530344
H 5.520186 1.159767 -2.719277
H 4.218877 -1.054658 1.295200
H 0.303971 -3.886436 0.048829
H 4.538024 -3.397766 0.620340
H 2.599425 -4.820960 -0.009473
H 4.097125 4.161182 -4.396210
H 5.352013 2.921589 -4.475600
H 3.682896 2.516385 -4.894786
H -1.563700 -2.959121 0.105011
H -2.146066 -0.310935 2.501010
H -5.692646 -0.519529 -1.029436
H -4.281661 0.965391 2.796923


%chk=000275446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275446

0 1
S 2.141815 0.853455 0.374709
O 0.702425 1.578193 0.679871
O 3.091356 0.278565 1.565108
O -5.838217 -3.262817 0.999054
O -3.801703 -3.942616 0.244446
O -5.430496 2.988430 0.937848
O -7.036296 1.367440 1.034801
N 1.729202 -0.657518 -0.901884
N -0.480699 -1.875523 0.115329
N -4.619036 -3.026225 0.654192
N -5.809000 1.754652 0.942782
C 3.159100 2.027241 -0.676903
C 1.869921 -1.937995 -0.320711
C 0.697229 -2.647503 0.142459
C 2.484735 3.006850 -1.423078
C 4.555623 1.891293 -0.657978
C 4.682246 3.791855 -2.227456
C 3.265027 3.891383 -2.198161
C 5.311842 2.789918 -1.442411
C 3.145386 -2.552245 -0.231571
C 0.829466 -3.993099 0.582588
C -2.749741 -1.282321 0.618022
C 3.259113 -3.869242 0.250057
C -4.137802 -1.618226 0.713286
C 2.100326 -4.594567 0.639428
C 5.502768 4.732912 -3.089316
C -1.643154 -2.261497 0.585457
C -2.415751 0.106931 0.637538
C -5.142414 -0.637291 0.829489
C -4.756550 0.712246 0.832863
C -3.399920 1.101315 0.735993
H 0.701591 -0.469778 -0.998128
H 1.394567 3.091150 -1.376859
H 5.033135 1.131677 -0.030891
H 2.765982 4.670634 -2.785420
H 6.404868 2.712689 -1.440118
H 4.024219 -1.994671 -0.568138
H -0.053633 -4.565846 0.886969
H 4.243573 -4.344832 0.309158
H 2.197609 -5.627997 0.988428
H 5.092693 5.757988 -3.073192
H 6.553452 4.778345 -2.756344
H 5.503515 4.398331 -4.144633
H -1.836007 -3.263358 0.995706
H -1.356760 0.387304 0.604705
H -6.194448 -0.922506 0.903628
H -3.137657 2.162081 0.755683


