%chk=000296555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296555

0 1
S 2.242896 1.749106 0.242974
O 2.328444 2.788270 1.250586
O 2.942514 1.903723 -1.002174
N 2.986060 0.427297 1.142249
N -3.412592 0.245251 -0.698482
N 3.858404 -1.767275 1.436242
N 2.481281 -1.191126 -0.516001
N -5.494699 -0.169634 0.015504
N -4.187128 -0.112267 0.254780
C 0.616915 1.290485 0.010257
C 0.225530 0.647437 -1.173959
C -0.336334 1.575048 0.999398
C -2.056652 0.567763 -0.372349
C -1.103678 0.283840 -1.372465
C -1.668378 1.217861 0.819132
C 3.118080 -0.869978 0.674458
C 3.963232 -3.027373 0.956458
C 2.621681 -2.466522 -0.954806
C 3.359423 -3.427175 -0.248584
C -6.100400 -0.008526 -1.332277
C -6.246375 -1.036283 0.961689
H 0.972718 0.427596 -1.948845
H -0.033079 2.090189 1.919153
H 3.468993 0.634149 2.035500
H -1.414609 -0.210993 -2.292309
H -2.408347 1.438004 1.587209
H 4.552285 -3.727293 1.564137
H 2.119618 -2.706094 -1.901152
H 3.463469 -4.440478 -0.618266
H -5.666997 0.879982 -1.832915
H -7.185516 0.147202 -1.243423
H -5.909151 -0.875522 -1.986438
H -6.417579 -2.047172 0.555627
H -7.220677 -0.563568 1.176780
H -5.705453 -1.139926 1.921513


%chk=000296555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296555

0 1
S 2.145130 1.570508 0.545247
O 2.172931 2.585681 1.815760
O 2.885159 1.945872 -0.843373
N 2.930045 0.070721 1.325417
N -3.610522 0.046726 -0.667619
N 4.279031 -1.833931 1.269922
N 2.767612 -1.304165 -0.591645
N -5.759311 -0.080088 -0.069936
N -4.501534 0.270697 0.285420
C 0.375657 1.062739 0.210239
C 0.056968 0.517943 -1.043935
C -0.568945 1.308793 1.223867
C -2.284910 0.418274 -0.290512
C -1.292238 0.197565 -1.286194
C -1.911676 0.979958 0.967991
C 3.343019 -1.053753 0.629881
C 4.645851 -2.972200 0.619182
C 3.182062 -2.440905 -1.216531
C 4.126838 -3.326428 -0.648670
C -6.073528 -0.650793 -1.391588
C -6.802052 0.136244 0.937474
H 0.839798 0.347111 -1.787014
H -0.257413 1.762431 2.170237
H 3.423797 0.313238 2.193528
H -1.604645 -0.228742 -2.244188
H -2.680889 1.154860 1.724864
H 5.382751 -3.599680 1.132724
H 2.734824 -2.638268 -2.197128
H 4.443025 -4.235179 -1.165245
H -5.777495 0.049561 -2.193394
H -7.155652 -0.848355 -1.439722
H -5.507445 -1.586222 -1.552032
H -7.289340 -0.817451 1.214599
H -7.576203 0.831695 0.562470
H -6.326805 0.571540 1.829106


