%chk=000212514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212514

0 1
S -1.663807 0.764125 0.871949
O -1.181900 1.684719 -1.578587
O -1.514862 -0.942846 -1.980210
N -5.699040 0.648488 0.865517
C -0.620544 0.794903 -0.649323
C 0.728477 1.272825 -0.214857
C 1.713660 0.339011 0.176753
C 1.434363 -1.112058 0.128431
C 0.285762 -1.595973 -0.538685
C -0.677160 -0.659618 -1.148467
C 0.995875 2.647533 -0.190508
C 2.965998 0.823893 0.590576
C 2.302983 -2.043673 0.721837
C 0.037926 -2.974223 -0.629568
C -3.353059 0.750893 0.184781
C 2.247274 3.109028 0.223356
C 3.230037 2.195120 0.615181
C 2.043282 -3.413673 0.641092
C 0.914970 -3.884413 -0.038969
C -4.296405 0.650425 1.381712
H 0.217274 3.348417 -0.505543
H 3.746162 0.124027 0.893828
H 3.188723 -1.697399 1.256194
H -0.850999 -3.321506 -1.164897
H -3.523232 1.671618 -0.404831
H -3.491835 -0.107196 -0.505905
H 2.455000 4.178155 0.239961
H -1.736216 1.188164 -2.251923
H 4.206993 2.552373 0.939519
H 2.727210 -4.121397 1.111702
H 0.720396 -4.953696 -0.104817
H -4.131457 -0.310547 1.924280
H -4.100522 1.469706 2.110055
H -5.941330 1.554824 0.477157
H -6.352096 0.461072 1.620009


%chk=000212514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212514

0 1
S -1.629887 0.873739 1.019015
O -1.146730 1.779032 -1.634725
O -1.610638 -0.843612 -1.924521
N -5.747508 0.515612 0.819568
C -0.551530 0.918105 -0.676284
C 0.826032 1.350684 -0.259967
C 1.771426 0.378272 0.187659
C 1.427357 -1.069932 0.172909
C 0.233868 -1.521627 -0.480836
C -0.692142 -0.544321 -1.089276
C 1.157117 2.722821 -0.296967
C 3.051077 0.841764 0.601122
C 2.270828 -2.057517 0.748207
C -0.065497 -2.903011 -0.584517
C -3.364007 0.736447 0.263737
C 2.431869 3.159331 0.117285
C 3.378476 2.211280 0.572842
C 1.956739 -3.429173 0.664527
C 0.789098 -3.861825 -0.011811
C -4.393779 0.543672 1.397647
H 0.406790 3.430602 -0.659759
H 3.813860 0.129058 0.928647
H 3.180754 -1.761223 1.277966
H -0.979535 -3.193556 -1.112622
H -3.557717 1.668140 -0.294671
H -3.394753 -0.123368 -0.426713
H 2.687080 4.223829 0.084323
H -1.767847 1.202192 -2.172725
H 4.373062 2.538411 0.894966
H 2.624934 -4.164549 1.126249
H 0.552338 -4.928614 -0.079979
H -4.205463 -0.426005 1.892917
H -4.248654 1.335088 2.169629
H -6.117129 1.420182 0.519338
H -6.431989 -0.058825 1.313618


