%chk=000267800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267800

0 1
S 6.697200 -1.426390 -0.577842
O 6.573891 -2.492285 -1.551467
O 7.804805 -0.493171 -0.623305
O -4.135881 -3.367440 -0.686494
O -5.188435 -1.489445 -1.470784
N -0.349244 2.253225 1.310390
N -4.076493 0.756785 -0.017206
N -2.456142 4.037632 1.012003
N -3.148070 -1.427467 -0.240378
N 6.813702 -2.208302 0.951784
N -5.094253 2.850019 0.259567
C 1.509062 1.620944 -0.246338
C 0.925127 1.520910 1.178783
C 2.802094 0.863925 -0.337978
C -1.548372 1.757464 0.812138
C 2.816424 -0.454708 -0.821228
C 4.003614 1.469796 0.066513
C 5.213346 -0.554258 -0.486753
C 4.019932 -1.157809 -0.896913
C 5.203423 0.761423 -0.010873
C -2.667078 2.642465 0.688093
C -1.712252 0.392343 0.485556
C -2.985394 -0.052372 0.084617
C -3.909062 2.088516 0.292258
C -4.287942 -1.993314 -0.854891
C -5.185554 -4.216751 -1.252439
C -6.430959 -4.144063 -0.395992
H 1.656998 2.684474 -0.527287
H 0.768166 1.237495 -0.981673
H 1.641503 1.944472 1.920119
H 0.779390 0.450729 1.457015
H -0.272387 3.271483 1.407745
H 1.890854 -0.928850 -1.144539
H 4.002253 2.494207 0.434970
H 4.027978 -2.181590 -1.289077
H 6.140373 1.243132 0.292482
H -0.876723 -0.292030 0.551679
H -3.014708 4.293173 1.826171
H -2.747399 4.630752 0.239261
H -2.434230 -2.077448 0.107909
H 7.552573 -1.911637 1.585479
H 6.744985 -3.223297 0.976464
H -5.019068 3.798264 -0.075123
H -5.908639 2.366194 -0.117503
H -5.365333 -3.902012 -2.295891
H -4.683680 -5.201572 -1.215852
H -6.206525 -4.329698 0.662379
H -7.182160 -4.876231 -0.713790
H -6.896410 -3.146984 -0.455358


%chk=000267800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267800

0 1
S 6.807903 -1.613157 -0.385902
O 6.575138 -2.981714 -1.239309
O 8.017372 -0.562172 -0.682474
O -4.182716 -3.220684 -1.076526
O -5.681885 -1.395046 -1.056130
N -0.380481 2.328879 1.103781
N -4.230256 0.951718 -0.011739
N -2.477682 4.111567 1.143834
N -3.381008 -1.234848 -0.405092
N 6.997486 -2.123105 1.377335
N -5.117980 3.069376 0.362930
C 1.494229 1.568610 -0.415355
C 0.880325 1.605385 1.028059
C 2.798075 0.795488 -0.447242
C -1.615264 1.835223 0.718739
C 2.803772 -0.606033 -0.680356
C 4.033534 1.451307 -0.197891
C 5.193424 -0.649357 -0.391510
C 4.005048 -1.346974 -0.656378
C 5.249152 0.734932 -0.167932
C -2.721371 2.746299 0.744466
C -1.841999 0.488384 0.317300
C -3.167275 0.115739 -0.026876
C -4.000900 2.250258 0.367996
C -4.542050 -1.858087 -0.854170
C -5.294358 -4.101346 -1.522738
C -6.094052 -4.628583 -0.327007
H 1.648981 2.611960 -0.746976
H 0.749795 1.115040 -1.094941
H 1.604366 2.085008 1.712462
H 0.745805 0.567557 1.390048
H -0.403050 3.331513 1.324728
H 1.860782 -1.121034 -0.898292
H 4.046002 2.535655 -0.036766
H 4.026354 -2.421412 -0.864657
H 6.210550 1.232419 -0.005384
H -1.028556 -0.242567 0.281141
H -2.812005 4.398998 2.067802
H -2.568136 4.834035 0.424317
H -2.574474 -1.859295 -0.348125
H 7.886258 -1.724374 1.724414
H 6.977645 -3.156421 1.410951
H -5.059138 4.042345 0.645756
H -6.004100 2.655220 0.083473
H -5.942062 -3.530419 -2.211834
H -4.784279 -4.911728 -2.068859
H -5.435261 -5.152028 0.387692
H -6.864624 -5.342118 -0.674684
H -6.601733 -3.799714 0.194319


