%chk=000246777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246777

0 1
S 3.258095 1.901024 0.081990
S -0.350033 -2.147234 0.005013
O -3.316195 0.721817 0.009391
O -2.418692 -1.370019 -0.005137
N 1.413186 -0.046423 0.043930
N 0.640811 2.272692 0.062382
N 2.182819 -3.480148 0.012978
C -0.954916 0.470753 0.028139
C 0.126546 -0.447016 0.027898
C 1.624549 1.310870 0.060840
C 4.271967 0.381723 0.074709
C -0.642292 1.847216 0.046059
C -2.275259 -0.143963 0.009506
C -4.672547 0.124547 -0.009393
C 5.705106 0.861463 0.093318
C -5.581389 1.330657 -0.004716
C 1.184311 -2.902980 0.010410
H 4.027010 -0.252086 0.951145
H 4.043443 -0.232626 -0.819806
H -1.433833 2.611291 0.047241
H -4.748851 -0.491028 -0.922394
H -4.765337 -0.510557 0.888572
H 5.961819 1.470403 -0.785119
H 5.945244 1.451122 0.989421
H 6.394852 0.002373 0.090443
H -6.637368 1.030282 -0.022891
H -5.425712 1.953484 0.887930
H -5.402333 1.977563 -0.875657


%chk=000246777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246777

0 1
S 3.204916 1.977625 0.081072
S -0.045558 -2.418068 0.006006
O -3.342989 0.727954 0.009907
O -2.635392 -1.498563 -0.008235
N 1.396858 -0.074892 0.043374
N 0.525676 2.198465 0.060312
N 2.809166 -3.192186 0.022795
C -1.001843 0.279679 0.026393
C 0.145118 -0.563834 0.027232
C 1.552123 1.283373 0.059637
C 4.269570 0.393135 0.072864
C -0.725061 1.680092 0.043762
C -2.373559 -0.263857 0.008718
C -4.767754 0.257765 -0.009431
C 5.746404 0.803262 0.093945
C -5.640131 1.507232 -0.003374
C 1.673371 -2.814330 0.016762
H 3.978655 -0.197777 0.954373
H 3.998008 -0.175487 -0.829246
H -1.557102 2.389682 0.044130
H -4.910550 -0.360053 -0.913916
H -4.928025 -0.381064 0.877350
H 6.019167 1.404213 -0.791553
H 5.999680 1.381590 1.000041
H 6.371085 -0.108305 0.089188
H -6.705514 1.214289 -0.017404
H -5.459565 2.112095 0.901348
H -5.441753 2.133164 -0.889847


