%chk=000297251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297251

0 1
S 4.360519 -0.463686 -0.693018
O -2.537272 -0.973695 -0.676672
O -2.532141 1.419722 1.906297
O -4.101429 1.097849 -2.267716
N -0.420682 -1.573389 0.179067
N 1.652273 -2.255291 -0.587305
N 0.185568 0.791844 0.773782
N 2.583398 1.271505 0.317863
N 1.157402 2.883609 1.298378
C -1.885361 -1.663100 0.394231
C -3.099907 0.270585 1.309946
C -2.352064 -1.021738 1.705611
C -2.995333 0.342743 -0.238627
C -4.326705 0.566501 -0.959515
C 0.432989 -0.469503 0.304127
C 0.390239 -2.626202 -0.398481
C 1.730212 -0.916174 -0.165317
C 2.785939 0.018125 -0.133245
C 1.300990 1.613065 0.767788
C 5.388515 0.997301 -0.474907
H -2.188844 -2.730202 0.262442
H -4.146160 0.290166 1.683694
H -1.513191 -0.780362 2.391535
H -3.003113 -1.707558 2.273922
H -2.223920 1.076608 -0.565730
H -4.930470 1.357843 -0.471663
H -4.909865 -0.369838 -1.036893
H -0.034927 -3.594866 -0.622269
H -1.551729 1.469218 1.713585
H -3.578355 0.459315 -2.803019
H 0.232686 3.255112 1.456187
H 1.902794 3.552562 1.163591
H 5.411184 1.331493 0.571613
H 5.033235 1.842834 -1.079286
H 6.409025 0.741606 -0.787296


%chk=000297251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297251

0 1
S 4.583507 -0.618019 -0.506294
O -2.404682 -0.415557 -0.963957
O -2.022723 1.644401 1.536641
O -4.955745 -0.056200 -2.062320
N -0.384108 -1.362207 -0.067320
N 1.667677 -2.210212 -0.691284
N 0.350422 0.894054 0.669453
N 2.768206 1.217866 0.441688
N 1.380275 2.909729 1.283386
C -1.851739 -1.324109 0.058974
C -2.961021 0.601352 1.188851
C -2.407937 -0.841483 1.427009
C -3.325922 0.582691 -0.317947
C -4.765437 0.140832 -0.625559
C 0.550104 -0.353036 0.173251
C 0.355082 -2.448633 -0.599923
C 1.814172 -0.894424 -0.209107
C 2.935716 -0.035604 -0.050700
C 1.500075 1.636944 0.783921
C 5.600508 0.910986 -0.095111
H -2.181545 -2.352659 -0.177849
H -3.857823 0.787275 1.806309
H -1.643884 -0.841655 2.220135
H -3.223725 -1.518396 1.734567
H -3.102659 1.551670 -0.793510
H -5.479728 0.928205 -0.329330
H -5.007917 -0.790163 -0.064007
H -0.134557 -3.374643 -0.895624
H -1.089186 1.392474 1.163892
H -4.159578 -0.554325 -2.388244
H 0.467586 3.268207 1.556702
H 2.216772 3.478117 1.379875
H 5.505087 1.145025 0.974030
H 5.252494 1.761167 -0.697625
H 6.637732 0.644333 -0.350272


