%chk=000206539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206539

0 1
S 5.719163 0.679937 -0.365766
O -0.781858 1.264692 1.294438
O -0.085358 -2.676826 -1.011512
O 6.178400 0.378404 -1.707161
O 5.983013 1.969180 0.242136
N -0.081434 -0.616391 0.103077
N 6.487479 -0.474667 0.654699
C -2.438991 -0.483135 0.718818
C -2.191579 -1.757715 -0.150065
C -1.054912 0.217611 0.768978
C -0.689922 -1.814744 -0.432220
C -3.516289 0.389249 0.091537
C -2.811580 -0.767094 2.176618
C -2.651759 -3.077387 0.449332
C 1.320851 -0.297988 -0.010849
C -3.338949 1.761385 -0.124280
C -4.744420 -0.205147 -0.249592
C 2.101387 -0.918797 -1.005778
C 1.907075 0.633283 0.868127
C -4.364339 2.523304 -0.695216
C -5.765441 0.558522 -0.817446
C -5.576756 1.925931 -1.046500
C 3.456311 -0.609870 -1.107892
C 3.263171 0.931426 0.748043
C 4.044313 0.309701 -0.232208
H -2.697273 -1.625226 -1.146995
H -2.077615 -1.406580 2.680642
H -2.881485 0.171581 2.749288
H -3.790244 -1.257336 2.254568
H -2.160372 -3.302213 1.404726
H -3.734563 -3.084137 0.625078
H -2.423040 -3.914317 -0.229685
H -2.409472 2.261740 0.160699
H -4.909252 -1.266217 -0.067767
H 1.662323 -1.648362 -1.692978
H 1.310536 1.138140 1.634108
H -4.212231 3.589723 -0.862129
H -6.712156 0.088632 -1.081013
H -6.372349 2.520644 -1.492283
H 4.058955 -1.086833 -1.890807
H 3.713931 1.667509 1.425366
H 6.951256 -0.137328 1.494900
H 7.067276 -1.188178 0.219266


%chk=000206539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206539

0 1
S 5.900059 0.574311 -0.404005
O -0.806184 1.535332 0.742201
O 0.012622 -2.944544 -0.406615
O 6.360324 0.113598 -1.897494
O 6.165210 2.062138 0.202705
N -0.058913 -0.615857 0.086964
N 6.677243 -0.594180 0.788256
C -2.417380 -0.394172 0.619801
C -2.157264 -1.766702 -0.085506
C -1.053120 0.336925 0.480115
C -0.635717 -1.904372 -0.155479
C -3.594874 0.408105 0.025626
C -2.642414 -0.552749 2.161894
C -2.815543 -3.032336 0.496413
C 1.348297 -0.329429 -0.021567
C -3.748553 1.789820 0.321188
C -4.594887 -0.224525 -0.758448
C 2.115289 -0.985620 -1.018296
C 1.954383 0.605532 0.856569
C -4.855372 2.515141 -0.169435
C -5.707461 0.500297 -1.243270
C -5.842794 1.875272 -0.953026
C 3.494833 -0.721976 -1.129635
C 3.332857 0.878201 0.746429
C 4.064162 0.199797 -0.239131
H -2.472937 -1.665877 -1.145312
H -1.817606 -1.111821 2.641534
H -2.708325 0.442831 2.631554
H -3.588241 -1.087289 2.349870
H -2.520093 -3.200876 1.545472
H -3.916222 -2.964935 0.456732
H -2.495137 -3.913952 -0.084175
H -2.984559 2.303014 0.911928
H -4.527127 -1.290547 -0.998340
H 1.644619 -1.703877 -1.691530
H 1.355595 1.127905 1.603837
H -4.944536 3.582688 0.060529
H -6.465537 -0.012034 -1.846260
H -6.702943 2.438956 -1.330594
H 4.104683 -1.198106 -1.903413
H 3.819055 1.612846 1.395400
H 7.246936 -0.037790 1.447388
H 7.229374 -1.285036 0.253427


