%chk=000187553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187553

0 1
S -2.124648 0.502938 0.646977
O -2.312786 -1.988677 1.021603
O 0.372466 -1.892179 1.455953
O 1.630304 1.067174 -3.442704
O -2.075645 -3.715760 -0.421354
O 3.025144 1.335329 2.730885
N 1.739532 0.486026 0.576480
N 3.545894 2.131559 0.648085
N 2.570917 1.577939 -1.413815
C -1.533471 -1.146264 0.168767
C 0.821912 -0.239570 -0.199888
C -0.068388 -1.195122 0.582237
C 0.765310 -0.093069 -1.544647
C 2.596719 1.382564 -0.108245
C -2.877953 1.071218 -0.840543
C 1.652378 0.859342 -2.253276
C -2.109303 1.766710 -1.776177
C -4.247230 0.865261 -1.024102
C -2.730028 2.264764 -2.926755
C -4.858933 1.369702 -2.176395
C -2.498034 -3.318978 0.635241
C -4.100881 2.065974 -3.125201
C 3.720224 2.071843 2.057839
C -3.260809 -4.009247 1.703030
C 4.793691 2.967036 2.581837
H -1.686629 -1.414202 -0.904094
H 1.806203 0.337754 1.604766
H 0.085082 -0.658535 -2.179943
H 4.134788 2.758409 0.074635
H -1.039675 1.924434 -1.622687
H -4.835359 0.321116 -0.283457
H -2.140665 2.803542 -3.669783
H -5.925794 1.218815 -2.335561
H -4.580429 2.454314 -4.024139
H -4.110702 -4.571352 1.284237
H -2.616430 -4.734184 2.230796
H -3.650742 -3.310069 2.463129
H 4.865839 2.870310 3.681267
H 4.603997 4.030808 2.370250
H 5.788236 2.720527 2.178051


%chk=000187553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187553

0 1
S -2.904483 1.093582 0.504403
O -2.532534 -1.546931 1.079484
O -0.188203 -0.514253 2.173305
O 1.360555 2.164997 -3.005036
O -0.963628 -3.023718 0.185482
O 3.455491 0.679618 2.896960
N 1.750932 0.792641 0.832539
N 3.977616 1.663404 0.847810
N 2.698089 1.902427 -1.083769
C -1.836350 -0.467825 0.362171
C 0.549238 0.549983 0.162917
C -0.466337 -0.182080 0.989316
C 0.403983 0.979152 -1.140169
C 2.763017 1.448936 0.160693
C -3.558675 1.155689 -1.225232
C 1.490748 1.716713 -1.828377
C -3.103562 2.170651 -2.099003
C -4.532148 0.218175 -1.645131
C -3.627510 2.242701 -3.411156
C -5.042522 0.292680 -2.961042
C -1.946708 -2.828087 0.931063
C -4.592120 1.303865 -3.843403
C 4.291610 1.285582 2.159288
C -2.663412 -3.835183 1.791988
C 5.692380 1.655343 2.612989
H -1.743290 -0.719131 -0.706162
H 1.905157 0.479050 1.812462
H -0.514893 0.812311 -1.705846
H 4.667850 2.154346 0.271609
H -2.351036 2.890859 -1.761814
H -4.889141 -0.547198 -0.948106
H -3.270829 3.022694 -4.091722
H -5.794747 -0.431540 -3.291891
H -4.991441 1.359216 -4.861913
H -2.464477 -4.851961 1.422602
H -2.284075 -3.752901 2.826919
H -3.746051 -3.634716 1.816945
H 5.825580 1.327064 3.653210
H 5.854267 2.747259 2.557067
H 6.455761 1.164789 1.981846


