%chk=000224976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224976

0 1
S -1.757507 2.190603 0.210923
O 2.668769 0.828853 -0.937455
O -2.133706 2.851403 -1.297026
O -2.762337 2.761222 1.072701
O -0.361545 2.542382 0.431130
N 0.397718 -0.002222 0.169916
N -4.906456 -1.661445 -0.845215
C -0.897699 -0.399439 -0.133607
C -1.953547 0.535688 -0.074440
C 1.537123 -0.856451 0.271102
C -3.287411 0.099154 -0.272658
C -1.201860 -1.759125 -0.479683
C 2.771419 -0.353521 -0.238123
C -3.572961 -1.229817 -0.550507
C -2.497588 -2.161451 -0.681029
C 1.537657 -2.088470 0.935313
C 3.962312 -1.062366 -0.082565
C 2.732600 -2.805892 1.073338
C 3.932922 -2.300045 0.571422
C 3.596360 1.905030 -0.561464
C 2.734118 3.149382 -0.560097
H 0.648921 1.023368 0.130072
H -4.101267 0.828560 -0.205744
H -0.384613 -2.467396 -0.622557
H -2.718670 -3.193774 -0.960239
H 0.617162 -2.479526 1.368786
H 4.892583 -0.665082 -0.481080
H 2.720948 -3.765441 1.588650
H 4.855334 -2.867754 0.687682
H 4.049449 1.696595 0.420427
H 4.366997 1.908657 -1.350957
H -5.097605 -2.613666 -0.556571
H -5.624563 -1.045834 -0.479913
H -2.424056 3.773809 -1.295170
H 3.276978 4.021755 -0.183229
H 2.358584 3.384913 -1.564664
H 1.830936 3.020346 0.068232


%chk=000224976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224976

0 1
S -1.926165 2.170676 0.357216
O 2.569336 1.127989 -0.413623
O -2.179867 2.775834 -1.407635
O -3.153160 2.753701 1.238381
O -0.395460 2.522182 0.792051
N 0.312462 -0.101791 0.046664
N -5.104397 -1.797571 -0.633843
C -1.005471 -0.519067 -0.133983
C -2.128879 0.355689 0.011077
C 1.474733 -0.879127 0.237209
C -3.474774 -0.028526 -0.155929
C -1.361265 -1.852221 -0.521431
C 2.720126 -0.202124 0.004462
C -3.784276 -1.366940 -0.491393
C -2.687883 -2.258500 -0.697534
C 1.518887 -2.212529 0.716500
C 3.951764 -0.853083 0.210604
C 2.757202 -2.867088 0.914571
C 3.970812 -2.197317 0.656346
C 3.763218 1.991772 -0.483512
C 3.265669 3.391380 -0.835255
H 0.477678 0.917990 0.093535
H -4.265422 0.714312 -0.004533
H -0.559749 -2.560234 -0.741876
H -2.886223 -3.290279 -1.012307
H 0.594099 -2.728027 0.987244
H 4.893231 -0.328069 0.024085
H 2.764967 -3.896730 1.287580
H 4.928919 -2.704583 0.809773
H 4.279770 1.976746 0.498036
H 4.454856 1.598980 -1.256875
H -5.313276 -2.763443 -0.866078
H -5.880355 -1.155061 -0.507559
H -2.208485 3.776664 -1.365154
H 4.114981 4.097617 -0.871844
H 2.766012 3.391219 -1.818882
H 2.541885 3.742560 -0.080387


