%chk=000198138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198138

0 1
S 1.515551 -1.669610 1.392920
P 2.974432 -0.190498 1.725209
O 3.289763 0.387371 0.202046
O 2.532898 0.932010 2.583332
N -1.122463 0.812765 -0.583581
C 0.036500 -0.077604 -0.295119
C 0.027199 -0.632366 1.129903
C -2.417423 0.215821 -0.630752
C -1.011326 2.133441 0.094694
C 4.419781 -1.222707 2.261527
C -2.556372 -1.141482 -1.007946
C -3.583739 0.987318 -0.422890
C 3.884719 -0.492240 -0.789165
C -3.823344 -1.695071 -1.178156
C -4.842212 0.413000 -0.599495
C -4.974167 -0.927307 -0.973387
C 3.711444 0.276472 -2.087517
H 0.034200 -0.907861 -1.040947
H 0.965370 0.511468 -0.501388
H -0.035326 0.174213 1.890694
H -0.846658 -1.292734 1.306271
H 0.043045 2.460749 0.116600
H -1.385663 2.136162 1.130594
H -1.571558 2.884854 -0.488382
H 5.356809 -0.651901 2.185880
H 4.314537 -1.512517 3.319614
H 4.534790 -2.146427 1.684030
H -1.676965 -1.755814 -1.186401
H -3.517281 2.032626 -0.136199
H 4.952543 -0.629435 -0.533225
H 3.363580 -1.467626 -0.819320
H -3.916257 -2.739884 -1.473859
H -5.733529 1.019926 -0.440553
H -5.957915 -1.366622 -1.105214
H 4.286137 -0.171555 -2.904871
H 2.657704 0.322646 -2.393081
H 4.042996 1.319516 -1.967264


%chk=000198138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198138

0 1
S 1.751075 -1.987024 0.960562
P 3.000274 -0.069621 1.377997
O 3.759105 0.398865 -0.125169
O 2.107718 1.124954 1.953739
N -1.381068 0.620196 -0.045838
C -0.189500 -0.218944 -0.211693
C 0.089441 -1.055075 1.058759
C -2.665303 0.168175 -0.393444
C -1.191456 1.946174 0.566659
C 4.401404 -0.628663 2.471851
C -2.900104 -1.170735 -0.844445
C -3.792933 1.045102 -0.308124
C 4.221179 -0.617623 -1.108832
C -4.195373 -1.596025 -1.200300
C -5.082657 0.601109 -0.663820
C -5.302969 -0.720389 -1.115267
C 4.598834 0.150626 -2.372991
H -0.292415 -0.876858 -1.092857
H 0.678127 0.438998 -0.402145
H 0.145935 -0.398438 1.942736
H -0.667336 -1.840067 1.223995
H -0.152921 2.032475 0.926881
H -1.863151 2.089394 1.435379
H -1.384716 2.765568 -0.156030
H 5.092877 0.218434 2.606729
H 3.986190 -0.935703 3.443776
H 4.928098 -1.478820 2.010559
H -2.076928 -1.889342 -0.909743
H -3.660764 2.078564 0.024435
H 5.095329 -1.161442 -0.695293
H 3.403641 -1.341196 -1.294919
H -4.339406 -2.628610 -1.540467
H -5.923532 1.301096 -0.589373
H -6.307267 -1.059306 -1.389276
H 4.961349 -0.552116 -3.146093
H 3.724761 0.692493 -2.771266
H 5.396264 0.882868 -2.162068


