%chk=000215704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215704

0 1
S 5.617441 -0.745302 -0.053887
O -0.097085 2.954228 -0.551685
O 6.423329 0.405119 0.305949
O 5.803449 -2.022374 0.611368
N -0.143300 0.695576 0.038910
N 5.964741 -1.043087 -1.715086
C -2.503175 0.506482 0.631116
C -1.194341 -0.314139 0.374244
C -2.224939 1.842881 -0.105375
C -3.736554 -0.220998 0.118825
C -0.723788 1.968649 -0.245040
C -2.687238 0.755571 2.134055
C 1.231741 0.354173 0.013656
C -4.819812 0.489942 -0.418579
C -3.831457 -1.617175 0.237985
C 2.209983 1.348423 -0.216562
C 1.633175 -0.986706 0.222788
C -5.961899 -0.185270 -0.859714
C -4.973656 -2.289832 -0.204060
C -6.040609 -1.576849 -0.759117
C 3.555298 1.001710 -0.234325
C 2.986886 -1.310185 0.199317
C 3.955424 -0.326705 -0.030671
H -0.901379 -0.902873 1.267074
H -1.317544 -1.016179 -0.479242
H -2.638013 2.718008 0.430856
H -2.682469 1.865463 -1.116370
H -1.819562 1.264341 2.571578
H -3.568799 1.378324 2.331900
H -2.833768 -0.180900 2.685925
H -4.788233 1.575941 -0.491600
H -3.021726 -2.191171 0.684377
H 1.913775 2.391117 -0.381592
H 0.905662 -1.773331 0.398721
H -6.793951 0.378018 -1.281019
H -5.033059 -3.373819 -0.112489
H 4.309581 1.781033 -0.399504
H 3.294906 -2.349274 0.372166
H -6.928662 -2.102090 -1.106092
H 6.192725 -1.994822 -1.991847
H 6.590101 -0.400012 -2.194852


%chk=000215704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215704

0 1
S 5.724577 -0.813468 0.014978
O -0.101328 3.049357 -0.499250
O 6.569366 0.450503 0.601421
O 5.824103 -2.323439 0.623149
N -0.169019 0.714671 -0.005378
N 6.174486 -0.953053 -1.769891
C -2.516904 0.503833 0.510493
C -1.220825 -0.315621 0.195611
C -2.253666 1.819027 -0.274018
C -3.795586 -0.236135 0.102021
C -0.733457 1.983640 -0.274302
C -2.571647 0.812910 2.037448
C 1.210741 0.379743 -0.017083
C -4.927607 0.470374 -0.378304
C -3.902762 -1.641828 0.270840
C 2.218604 1.389375 -0.063760
C 1.596911 -0.991663 0.032672
C -6.127711 -0.206673 -0.690965
C -5.099169 -2.323250 -0.043035
C -6.218581 -1.607382 -0.526037
C 3.578639 1.029331 -0.063226
C 2.956715 -1.354733 0.032954
C 3.915782 -0.332918 -0.016441
H -0.946897 -0.980057 1.034280
H -1.342824 -0.929014 -0.719035
H -2.725349 2.711812 0.167256
H -2.591436 1.742213 -1.325942
H -1.649370 1.323494 2.372492
H -3.432459 1.465257 2.267363
H -2.688069 -0.117864 2.620990
H -4.877907 1.557183 -0.510340
H -3.049714 -2.215890 0.653362
H 1.923424 2.438610 -0.108115
H 0.844846 -1.783983 0.059061
H -6.989570 0.358463 -1.063145
H -5.158527 -3.409285 0.090246
H 4.360534 1.795124 -0.073073
H 3.265877 -2.403059 0.090893
H -7.147851 -2.133723 -0.769799
H 6.492551 -1.922532 -1.937671
H 6.904279 -0.247443 -1.966621


