%chk=000198299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198299

0 1
S -2.127988 0.550529 -1.757109
P -2.337944 0.149367 0.087351
O -3.839321 -0.292453 0.576388
O -2.055514 1.188354 1.305093
O -1.643624 -1.370654 0.564439
O 3.612900 -0.469858 -0.068172
N 0.100834 0.011685 0.161595
N 1.368070 0.298113 -0.001261
C -4.537973 -1.280686 -0.252463
C -1.531714 2.514989 0.963338
C -0.297160 -1.270531 0.435797
C -5.855836 -1.454684 0.478188
C -2.658424 3.420427 0.509830
C 0.598454 -2.361383 0.565959
C 1.935577 -2.068965 0.390414
C 2.286057 -0.713308 0.099826
C 3.985118 0.925455 -0.407582
C 5.416792 0.873506 -0.548267
C 6.615182 0.829606 -0.666617
H -4.677284 -0.873741 -1.273277
H -3.946878 -2.215685 -0.275854
H -1.125719 2.808791 1.954195
H -0.702310 2.445282 0.232014
H -6.498036 -2.188773 -0.019933
H -5.692002 -1.784564 1.514123
H -6.402598 -0.503200 0.539539
H -2.400631 4.476257 0.658853
H -2.900253 3.298858 -0.556212
H -3.580874 3.227041 1.077043
H 0.227892 -3.360767 0.790596
H 2.720373 -2.822699 0.462850
H 3.651732 1.581774 0.423688
H 3.463661 1.202442 -1.348947
H 7.644142 0.799178 -0.770226


%chk=000198299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198299

0 1
S -2.621441 0.759496 -1.992156
P -2.646085 0.237774 0.000905
O -4.078311 -0.442546 0.650817
O -2.412679 1.393855 1.235774
O -1.601855 -1.186021 0.423699
O 3.804050 -0.600495 -0.092944
N 0.276696 0.174234 0.102703
N 1.636217 0.340057 -0.027525
C -4.743796 -1.546566 -0.108935
C -1.641724 2.650269 0.938285
C -0.231467 -1.070995 0.284027
C -6.071358 -1.795372 0.598750
C -2.593280 3.770657 0.522593
C 0.569049 -2.248392 0.354229
C 1.947476 -2.086477 0.226948
C 2.435337 -0.758743 0.034388
C 4.273514 0.809023 -0.298763
C 5.731116 0.785807 -0.413426
C 6.957685 0.825380 -0.516377
H -4.884811 -1.225180 -1.158998
H -4.086354 -2.435239 -0.082304
H -1.145548 2.858503 1.900603
H -0.872501 2.426578 0.178465
H -6.615779 -2.613321 0.091455
H -5.904687 -2.084170 1.650038
H -6.699593 -0.889145 0.579346
H -2.024704 4.714287 0.417686
H -3.071000 3.545485 -0.446246
H -3.378498 3.921708 1.283072
H 0.101420 -3.224064 0.501567
H 2.646302 -2.924970 0.266214
H 3.937972 1.423587 0.556874
H 3.794610 1.213270 -1.209602
H 8.028729 0.851429 -0.605961


