%chk=000184557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184557

0 1
S 0.043902 -3.010379 -0.595465
O -3.389181 -0.597402 1.206361
O 4.877621 1.419514 0.519795
O 3.107760 2.656881 0.659373
N -1.664108 0.425804 0.027971
N -3.817171 1.479119 0.262963
N -1.278896 -1.904943 -0.429356
N 3.670465 1.586794 0.486173
C 0.647557 -0.556006 -0.070815
C 1.270438 -1.807857 -0.316829
C -0.829779 -0.693492 -0.141130
C 1.428683 0.565796 0.204294
C 2.820643 0.410907 0.209905
C 2.659681 -1.957312 -0.305302
C 3.438260 -0.837533 -0.040351
C -3.021517 0.325156 0.514515
C -5.255614 1.318198 0.610084
C -3.573820 2.280586 -0.962635
H 0.984748 1.543935 0.416510
H 3.122001 -2.926281 -0.496755
H -1.245138 1.343981 -0.118526
H 4.533286 -0.902984 -0.019568
H -5.667306 2.304574 0.879934
H -5.359984 0.656046 1.493317
H -5.853120 0.883445 -0.206354
H -2.638787 2.855757 -0.850898
H -4.382913 3.017886 -1.104711
H -3.511011 1.668911 -1.878298


%chk=000184557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184557

0 1
S 0.115153 -3.236754 -0.485364
O -3.512864 -0.795217 1.073404
O 4.778293 1.612644 0.427896
O 2.830742 2.798243 0.532471
N -1.737945 0.233947 -0.103712
N -3.840998 1.296489 0.062516
N -1.319581 -2.100477 -0.411323
N 3.490256 1.694562 0.388491
C 0.593319 -0.660280 -0.102684
C 1.293320 -1.897129 -0.263277
C -0.862455 -0.854493 -0.195292
C 1.318030 0.528189 0.122959
C 2.722007 0.450493 0.160954
C 2.705123 -1.959129 -0.213838
C 3.426763 -0.772493 -0.006270
C -3.083679 0.169632 0.387477
C -5.169979 1.442417 0.680102
C -3.408929 2.339771 -0.880629
H 0.840816 1.499841 0.283811
H 3.232008 -2.909849 -0.334944
H -1.338784 1.153368 -0.297221
H 4.518730 -0.765035 0.035095
H -5.232860 2.381916 1.261655
H -5.335646 0.586288 1.350943
H -5.961834 1.446679 -0.092941
H -2.787750 3.125969 -0.400711
H -4.301866 2.836473 -1.296261
H -2.852692 1.903035 -1.729107


