%chk=000218221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218221

0 1
S 0.485559 -1.874372 0.311259
O 0.423080 -2.904476 -0.707635
O 0.168425 -2.230276 1.683930
N -0.494359 -0.552947 -0.183164
C -1.967807 -0.677596 -0.397893
C -2.734052 -0.815797 0.947843
C -2.307278 -1.967316 -1.191947
C -2.898003 -2.322259 1.194385
C -2.795620 -3.015139 -0.176911
C -2.425532 0.574688 -1.201185
C -2.212966 1.882381 -0.492737
C 2.043070 -1.120916 0.289750
C -3.179677 2.378095 0.396925
C -1.049078 2.632195 -0.729946
C 2.661531 -0.761055 1.492147
C 2.700473 -0.900064 -0.924641
C -2.978722 3.599004 1.045432
C -0.853257 3.853139 -0.079594
C -1.815428 4.339143 0.810901
C 3.922388 -0.165643 1.483222
C 3.962109 -0.304282 -0.942569
C 4.581416 0.068743 0.263044
C 5.937421 0.690743 0.250154
H -3.720786 -0.327327 0.881357
H -2.207014 -0.324015 1.781045
H -1.438098 -2.345543 -1.768072
H -3.088439 -1.769022 -1.944087
H -3.851963 -2.548301 1.694155
H -2.095774 -2.686895 1.871420
H -2.090677 -3.867074 -0.132287
H -3.767315 -3.434211 -0.484161
H -3.497828 0.456475 -1.460669
H -1.890383 0.577634 -2.175234
H -0.256444 0.366384 0.217860
H -4.089956 1.810938 0.583084
H -0.299120 2.263738 -1.428249
H 2.155938 -0.955382 2.446444
H 2.229091 -1.200551 -1.866640
H -3.732448 3.975996 1.735179
H 0.051018 4.428923 -0.269926
H -1.661930 5.289689 1.316361
H 4.398434 0.110559 2.421921
H 4.468709 -0.136176 -1.890707
H 6.718692 -0.083455 0.317474
H 6.131665 1.261619 -0.668410
H 6.094538 1.377302 1.093674


%chk=000218221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218221

0 1
S 0.504566 -1.760606 0.745186
O 0.464301 -3.188103 -0.036467
O 0.186896 -1.713823 2.350934
N -0.494924 -0.528257 -0.265905
C -1.977401 -0.753658 -0.430912
C -2.759098 -1.027705 0.905949
C -2.245036 -2.015126 -1.327935
C -3.012949 -2.555373 0.924327
C -3.284184 -2.880462 -0.565663
C -2.461770 0.551841 -1.169091
C -2.263281 1.861443 -0.417063
C 2.199923 -0.972373 0.493125
C -3.258825 2.374496 0.455980
C -1.064401 2.608718 -0.579857
C 2.770391 -0.278630 1.570224
C 2.844557 -1.151196 -0.741978
C -3.057649 3.583941 1.157817
C -0.858690 3.819016 0.121081
C -1.853999 4.309055 0.997175
C 4.058095 0.276183 1.387298
C 4.128710 -0.588169 -0.898755
C 4.751730 0.131436 0.158020
C 6.145497 0.705250 -0.021471
H -3.731672 -0.500455 0.871528
H -2.213317 -0.666124 1.793823
H -1.304293 -2.576205 -1.451346
H -2.594032 -1.718623 -2.333830
H -3.851078 -2.831432 1.588909
H -2.115166 -3.095387 1.277943
H -3.176874 -3.954607 -0.796504
H -4.316788 -2.580179 -0.834020
H -3.534162 0.390767 -1.388275
H -1.928005 0.592213 -2.136766
H -0.326742 0.367415 0.241834
H -4.202042 1.828790 0.579176
H -0.299370 2.248287 -1.279316
H 2.232054 -0.197744 2.520525
H 2.363382 -1.720033 -1.543378
H -3.840132 3.962939 1.824922
H 0.071573 4.380372 -0.022156
H -1.698859 5.248002 1.540114
H 4.528855 0.823112 2.212015
H 4.655940 -0.710035 -1.852191
H 6.909195 -0.094583 0.025778
H 6.255479 1.201571 -1.002344
H 6.387199 1.441337 0.763843


