%chk=000202375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202375

0 1
S -0.160038 -2.230722 0.076994
O 0.194922 -3.387230 -0.730813
O -0.496372 -2.402327 1.476658
N -1.525595 -1.547064 -0.707569
N -1.988440 2.060811 0.513866
C -3.279819 0.211947 -0.615206
C -2.580212 -0.930918 0.138677
C -2.380836 1.444987 -0.799272
C 1.068822 -1.033082 -0.079775
C -3.173177 2.585896 1.256602
C -1.014131 3.170424 0.272595
C 0.966744 0.186443 0.595993
C 2.190995 -1.298922 -0.875327
C 3.117430 0.867705 -0.301216
C 1.988834 1.133517 0.489823
C 3.210635 -0.356480 -0.989570
C 4.220889 1.866264 -0.414649
H -4.204100 0.485681 -0.068765
H -3.609654 -0.135373 -1.614236
H -2.123249 -0.530906 1.077472
H -3.334596 -1.685683 0.457148
H -2.883706 2.165783 -1.478856
H -1.439405 1.122813 -1.304241
H -1.906465 -2.040416 -1.521302
H -3.749170 3.356897 0.725246
H -2.837207 3.005143 2.218343
H -3.849944 1.748087 1.491520
H -1.410330 4.016756 -0.307189
H -0.133547 2.772106 -0.257313
H -0.664823 3.553846 1.244313
H 0.085071 0.413539 1.210583
H 2.268474 -2.255528 -1.407749
H 1.908658 2.073309 1.031878
H 4.081115 -0.569273 -1.606309
H 4.461090 2.087759 -1.464816
H 3.986996 2.822587 0.071295
H 5.143543 1.487224 0.051966


%chk=000202375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202375

0 1
S -0.197121 -2.119114 0.215842
O 0.213769 -3.510516 -0.534487
O -0.633802 -2.062740 1.786637
N -1.583770 -1.371506 -0.811580
N -2.165580 2.036781 0.487797
C -3.464837 0.234522 -0.741492
C -2.759723 -0.930312 -0.011135
C -2.601940 1.509252 -0.831554
C 1.221649 -0.906005 -0.023567
C -3.288494 2.463394 1.350406
C -1.176702 3.124197 0.320456
C 1.203749 0.298341 0.696105
C 2.256967 -1.274662 -0.895898
C 3.375389 0.853528 -0.341341
C 2.296284 1.177642 0.523610
C 3.337570 -0.378500 -1.047237
C 4.561506 1.789300 -0.487956
H -4.417604 0.437747 -0.214495
H -3.736966 -0.070274 -1.770915
H -2.390036 -0.573269 0.966757
H -3.470730 -1.758567 0.182809
H -3.171261 2.285463 -1.408320
H -1.690140 1.266639 -1.407406
H -1.798584 -2.127607 -1.489922
H -3.917613 3.264334 0.883992
H -2.889977 2.852124 2.304294
H -3.943670 1.608352 1.588840
H -1.593835 4.020888 -0.205124
H -0.315689 2.756107 -0.264787
H -0.810183 3.452308 1.310437
H 0.367422 0.544901 1.358593
H 2.218239 -2.235214 -1.419853
H 2.310889 2.126150 1.072840
H 4.162405 -0.641635 -1.719675
H 4.934399 1.811998 -1.527171
H 4.305338 2.820962 -0.191987
H 5.402085 1.460593 0.153283


