%chk=000211857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211857

0 1
S 1.845549 2.287213 1.839263
S 0.242354 3.784415 -0.124361
O 0.004449 -0.664080 1.579358
N 0.461074 1.074814 0.009832
C 1.043119 -0.068624 0.809767
C -0.373176 0.757077 -1.206194
C 2.005251 0.482614 1.872511
C -1.825782 1.253063 -1.050389
C 1.699440 -1.097866 -0.099034
C 0.740934 2.333335 0.445661
C 0.274700 1.332544 -2.464969
C -2.595917 0.469141 -0.028651
C 2.714682 -0.705730 -0.983651
C 1.320819 -2.443422 -0.019018
C -3.068404 -0.817669 -0.334680
C -2.840732 1.011928 1.242275
C 3.335237 -1.657616 -1.795799
C 1.945145 -3.392916 -0.833436
C 2.949788 -3.001117 -1.723240
C -3.777531 -1.549753 0.620993
C -3.550078 0.274800 2.194237
C -4.018241 -1.006787 1.887084
H -0.386843 -0.366090 -1.292424
H 1.718095 0.093130 2.875607
H 3.054186 0.182164 1.697412
H -2.333232 1.191819 -2.036892
H -1.843722 2.341347 -0.810429
H 1.330275 1.048114 -2.549681
H 0.239219 2.433082 -2.489076
H -0.233870 0.975535 -3.367650
H -0.863768 -0.713165 1.113194
H 3.020603 0.340466 -1.038152
H 0.546808 -2.747879 0.689941
H -2.895656 -1.241540 -1.321596
H -2.474055 2.009584 1.488710
H 4.122489 -1.353373 -2.484567
H 1.649665 -4.439431 -0.770101
H 3.435679 -3.741629 -2.357718
H -4.147303 -2.544556 0.377135
H -3.736552 0.701500 3.179451
H -4.570697 -1.578240 2.630279


%chk=000211857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211857

0 1
S 1.330679 2.096824 2.194655
S 0.001357 3.709864 -0.045824
O -0.189160 -1.019339 1.249293
N 0.404702 0.955494 -0.031716
C 0.926444 -0.237776 0.731010
C -0.380176 0.668692 -1.285986
C 1.819432 0.303204 1.889214
C -1.880527 1.109037 -1.198016
C 1.744934 -1.175361 -0.171018
C 0.520653 2.201429 0.542883
C 0.300331 1.260820 -2.539741
C -2.660259 0.487517 -0.052727
C 2.866912 -0.665965 -0.872906
C 1.416842 -2.546303 -0.282672
C -3.350640 -0.740650 -0.224397
C -2.696856 1.110064 1.226074
C 3.649275 -1.518126 -1.680433
C 2.203991 -3.399682 -1.089951
C 3.320550 -2.890420 -1.790452
C -4.049305 -1.339917 0.847394
C -3.393295 0.510259 2.303181
C -4.068904 -0.719069 2.118437
H -0.362782 -0.434398 -1.357877
H 1.635869 -0.297556 2.790938
H 2.885964 0.278627 1.626856
H -2.329007 0.806560 -2.163745
H -1.918093 2.210987 -1.145591
H 1.334224 0.889527 -2.635070
H 0.316001 2.362252 -2.498183
H -0.260134 0.950014 -3.440483
H -0.890618 -0.411225 1.611203
H 3.123875 0.397925 -0.796340
H 0.551763 -2.925896 0.266681
H -3.339153 -1.230197 -1.206357
H -2.203100 2.079239 1.365167
H 4.511618 -1.114271 -2.222130
H 1.945469 -4.461524 -1.168508
H 3.929665 -3.553330 -2.415012
H -4.578095 -2.287374 0.693366
H -3.416303 1.008462 3.278940
H -4.610140 -1.182219 2.950845


