%chk=000180456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180456

0 1
S 1.762324 -0.402815 -0.821332
O -3.563712 0.037587 0.172954
O 4.084659 -0.946324 -1.792145
N -0.842941 0.027621 -0.006417
N -0.544930 1.256909 1.855789
N 0.670602 0.975634 1.352497
N -1.373050 -0.697406 -1.083394
C -1.499384 0.699489 1.060644
C -2.967462 0.782994 1.276545
C 0.528618 0.228546 0.218428
C -4.948804 -0.045850 0.128622
C 3.232321 0.224259 0.049434
C -7.685930 -0.386705 -0.228044
C -5.824112 0.524996 1.053771
C -5.405411 -0.787707 -0.977923
C 5.758888 0.022836 -0.410485
C 4.357763 -0.290082 -0.804865
C -7.199852 0.345575 0.862121
C -6.776012 -0.950810 -1.144940
C -9.153387 -0.577094 -0.431020
C 6.073042 0.779629 0.728244
C 6.793095 -0.469278 -1.225449
C 7.408096 1.040219 1.046557
C 8.126548 -0.206948 -0.904381
C 8.434229 0.548023 0.231951
H -3.261520 0.305444 2.234207
H -3.321629 1.833908 1.234298
H 3.215363 1.330780 0.128440
H 3.273399 -0.146499 1.094311
H -5.471863 1.096554 1.906302
H -4.694344 -1.217445 -1.677481
H -7.895063 0.785977 1.577061
H -7.150533 -1.521637 -1.994989
H -1.955268 -1.471983 -0.722058
H -2.009737 -0.089389 -1.626027
H 5.284588 1.169955 1.372729
H 6.538560 -1.058915 -2.112070
H -9.756898 -0.092059 0.347256
H -9.422742 -1.643289 -0.426486
H -9.480971 -0.161603 -1.395079
H 7.650158 1.628010 1.931110
H 8.924468 -0.590397 -1.538914
H 9.474633 0.753791 0.484126


%chk=000180456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180456

0 1
S 1.859272 -1.328599 -0.690095
O -3.538542 0.084467 -0.001453
O 4.589715 -1.686175 -1.523345
N -0.733597 -0.849051 0.247457
N -0.530338 0.942563 1.596501
N 0.772918 0.594698 1.098166
N -1.261309 -1.883801 -0.548936
C -1.405940 0.058346 1.081574
C -2.874910 0.031496 1.322847
C 0.607059 -0.466749 0.273675
C -4.953212 0.108130 -0.010030
C 3.275611 -0.217884 -0.103740
C -7.791928 0.157203 -0.262571
C -5.762330 0.084172 1.148751
C -5.549179 0.160055 -1.293436
C 5.825280 0.075697 -0.424102
C 4.575018 -0.687013 -0.746585
C -7.170932 0.108758 1.007250
C -6.950775 0.183507 -1.409664
C -9.303674 0.187691 -0.407809
C 5.831010 1.201073 0.445186
C 7.044459 -0.352791 -1.017647
C 7.036394 1.883495 0.713464
C 8.245879 0.330154 -0.748309
C 8.244630 1.450493 0.118484
H -3.194955 -0.892835 1.848591
H -3.141535 0.910739 1.937421
H 3.032887 0.823634 -0.374813
H 3.319809 -0.264693 0.997803
H -5.326851 0.053672 2.151906
H -4.904106 0.191018 -2.177292
H -7.793029 0.091598 1.910070
H -7.402076 0.226560 -2.408458
H -1.412108 -2.752616 -0.024501
H -2.074227 -1.558189 -1.083538
H 4.904124 1.549416 0.913477
H 7.016978 -1.221442 -1.683890
H -9.805460 0.140733 0.573926
H -9.668918 -0.663619 -1.012547
H -9.641248 1.112602 -0.912508
H 7.035380 2.749961 1.383328
H 9.181439 -0.004714 -1.209051
H 9.179117 1.982741 0.328342


