%chk=000180207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180207

0 1
S -1.850172 3.480298 0.268037
O 1.039653 4.001275 0.155342
O -4.536160 -2.213986 -0.595958
N -0.142213 -1.327630 0.434057
N 3.128896 2.192650 -0.267914
N -4.433693 0.066357 -0.529272
C 1.544131 0.388720 0.076234
C 0.177443 -0.054197 0.326152
C -0.893501 0.978185 0.448087
C 2.567201 -0.576859 -0.070621
C -2.292745 0.489364 0.670284
C 1.882200 1.767925 -0.026483
C 2.214620 -1.981641 0.043876
C -0.573426 2.284079 0.334977
C 0.854766 -2.308335 0.295252
C 0.799900 2.820249 0.150545
C -2.962519 0.114010 -0.669795
C 3.883742 -0.115334 -0.323725
C 3.153947 -3.035466 -0.083662
C 0.450949 -3.667869 0.409997
C 4.118159 1.250255 -0.416810
C 2.748927 -4.351738 0.032875
C 1.391227 -4.669404 0.279506
C -5.118937 -1.152495 -0.461010
C -1.372765 4.772195 1.434270
C -6.603597 -1.030366 -0.248136
H -2.898345 1.247109 1.214194
H -2.293117 -0.406051 1.335893
H -2.704592 0.852455 -1.461152
H -2.589257 -0.886951 -1.005888
H 4.698483 -0.828764 -0.444248
H 4.200584 -2.796961 -0.275686
H -0.604298 -3.888410 0.595195
H 5.118623 1.656738 -0.615297
H -4.900041 0.950098 -0.361468
H 3.472258 -5.161404 -0.065738
H 1.096585 -5.716434 0.363504
H -1.264749 4.391326 2.454023
H -2.164772 5.532010 1.421891
H -0.426881 5.256754 1.138486
H -7.062531 -2.033075 -0.252992
H -6.851307 -0.568815 0.715472
H -7.093873 -0.450764 -1.040592


%chk=000180207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180207

0 1
S -1.814873 3.811691 0.315129
O 1.223559 4.127757 -0.158743
O -3.882857 -2.438342 -0.404065
N -0.320741 -1.152016 0.280062
N 3.238478 2.192521 -0.031873
N -4.404414 -0.167097 -0.487414
C 1.512823 0.460156 0.111290
C 0.108875 0.121343 0.254658
C -0.905360 1.179975 0.399904
C 2.490586 -0.586062 0.027422
C -2.332192 0.727886 0.621546
C 1.932378 1.822876 0.057024
C 2.025607 -1.971357 0.045594
C -0.523735 2.515550 0.307482
C 0.601866 -2.189448 0.159057
C 0.893677 2.924429 0.064220
C -3.022862 0.279489 -0.705955
C 3.852190 -0.183375 -0.073419
C 2.880150 -3.104408 -0.052378
C 0.075166 -3.515995 0.148711
C 4.168807 1.187349 -0.086093
C 2.347560 -4.404338 -0.051188
C 0.940731 -4.612607 0.044460
C -4.741170 -1.505987 -0.334314
C -1.069880 5.210659 1.350587
C -6.223387 -1.783934 -0.086471
H -2.914073 1.546604 1.081554
H -2.332334 -0.152473 1.286471
H -3.019566 1.107848 -1.438318
H -2.465581 -0.577982 -1.117698
H 4.659567 -0.918272 -0.138056
H 3.964183 -2.971897 -0.134528
H -1.012128 -3.625598 0.215615
H 5.212118 1.515884 -0.147652
H -5.136262 0.538771 -0.395519
H 3.019298 -5.266067 -0.129409
H 0.539436 -5.631339 0.034000
H -0.759278 4.820106 2.330962
H -1.893283 5.931941 1.474615
H -0.222213 5.649966 0.813060
H -6.597929 -2.459641 -0.874544
H -6.335237 -2.311210 0.876543
H -6.848898 -0.874254 -0.070625


