%chk=000239734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239734

0 1
S -1.487677 0.322183 1.255063
O -0.322696 -0.465906 1.554484
O -1.978976 1.235443 2.249159
O -2.034488 1.233899 -2.426395
N -1.238691 1.202785 -0.236905
C 1.096857 1.752577 -0.997001
C -0.224967 2.273143 -0.413974
C 2.005489 1.101327 0.050495
C 3.342569 0.666610 -0.564308
C 4.241083 -0.008409 0.481031
C -2.754516 -0.648445 0.565103
C -2.053809 0.777654 -1.307346
C -2.957299 -0.321340 -0.794091
C 5.577923 -0.450230 -0.128551
C 6.475399 -1.127198 0.917047
C -3.510487 -1.629002 1.173799
C -3.915282 -0.973868 -1.550300
C -4.490743 -2.300135 0.410043
C -4.688523 -1.977709 -0.929109
C 7.808429 -1.569613 0.317293
H 0.889627 1.036622 -1.818480
H 1.626799 2.600063 -1.477673
H -0.651404 3.044647 -1.101552
H -0.064391 2.771662 0.568365
H 2.186516 1.800480 0.888808
H 1.497335 0.220656 0.503933
H 3.862693 1.540961 -0.999837
H 3.160616 -0.028743 -1.406521
H 3.716743 -0.881793 0.916878
H 4.421343 0.683360 1.326162
H 6.101851 0.422053 -0.563852
H 5.397256 -1.143727 -0.972125
H 6.657018 -0.434407 1.761892
H 5.952143 -2.001600 1.351416
H -3.366410 -1.893167 2.223661
H -4.067415 -0.716363 -2.601045
H -5.094091 -3.077366 0.881148
H -5.448218 -2.502027 -1.512437
H 8.441032 -2.051351 1.070972
H 7.665021 -2.287193 -0.498437
H 8.369643 -0.720435 -0.088612


%chk=000239734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239734

0 1
S -1.552644 0.431882 1.392773
O -0.336748 -0.470634 1.972177
O -2.129787 1.628575 2.323101
O -1.931451 1.003413 -2.542559
N -1.159916 1.136229 -0.333114
C 1.140306 1.942956 -0.990727
C -0.270637 2.303890 -0.477550
C 1.989149 1.127227 0.006716
C 3.381544 0.765844 -0.556812
C 4.241239 -0.053315 0.432320
C -2.873558 -0.647506 0.593097
C -1.975559 0.622420 -1.337111
C -2.914929 -0.415958 -0.791659
C 5.631599 -0.425642 -0.129605
C 6.487393 -1.253988 0.856099
C -3.677524 -1.570277 1.266680
C -3.833776 -1.150986 -1.568578
C -4.597858 -2.301623 0.472051
C -4.672570 -2.091854 -0.927462
C 7.874852 -1.623273 0.287901
H 1.038972 1.396556 -1.948005
H 1.655507 2.897521 -1.224422
H -0.769834 2.993825 -1.184581
H -0.217161 2.809709 0.506444
H 2.112211 1.704718 0.946866
H 1.452851 0.199661 0.289187
H 3.924079 1.695172 -0.831607
H 3.257388 0.189008 -1.497455
H 3.695789 -0.979240 0.709129
H 4.367715 0.522992 1.372610
H 6.180655 0.500956 -0.399984
H 5.505934 -0.997949 -1.072900
H 6.611903 -0.682701 1.798727
H 5.937592 -2.179039 1.125006
H -3.608294 -1.725658 2.347090
H -3.874314 -0.973229 -2.647957
H -5.255169 -3.034866 0.950104
H -5.390201 -2.667893 -1.520242
H 8.465229 -2.216524 1.010485
H 7.776842 -2.219511 -0.639161
H 8.456483 -0.714791 0.041127


