%chk=000282205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282205

0 1
S -0.756268 -3.066898 -0.349723
O 0.169161 -4.049005 0.178969
O -1.572042 -3.438749 -1.479134
N -1.787091 0.177840 0.231930
N 2.027369 -0.086071 -0.029126
C -0.859543 -0.914632 0.664793
C 0.010399 -1.460722 -0.517939
C -1.639128 -2.236431 0.939865
C 1.513215 -1.477034 -0.271520
C -1.022180 1.379502 -0.246039
C -2.707332 0.561889 1.358533
C -1.996138 2.453821 -0.753739
C -3.713172 1.617661 0.871070
C -2.991229 2.861466 0.339372
C 2.161105 0.665430 -1.321949
C 3.341767 -0.147188 0.697278
C 2.664792 2.094442 -1.061876
C 3.847829 1.274068 0.992193
C 3.995743 2.084265 -0.300964
H -0.220154 -0.622649 1.531034
H -0.226835 -0.945306 -1.472631
H -1.515406 -2.629043 1.954391
H -2.726582 -2.150219 0.781957
H 2.021695 -1.983143 -1.124514
H 1.740872 -2.100280 0.628095
H -0.355900 1.056092 -1.082939
H -0.354631 1.797488 0.538923
H -2.156279 0.944069 2.244933
H -3.258647 -0.346478 1.683887
H -2.549731 2.062464 -1.631280
H -1.427335 3.332340 -1.107552
H -4.397651 1.887564 1.695185
H -4.342336 1.181724 0.068491
H 1.142896 0.713998 -1.781409
H 2.827615 0.154998 -2.049247
H 4.115850 -0.713506 0.135641
H 3.173867 -0.685745 1.655553
H -2.463998 3.379194 1.162571
H -3.723709 3.586051 -0.061444
H 1.906980 2.651525 -0.475271
H 2.772359 2.629764 -2.022818
H 4.812232 1.220360 1.529258
H 3.137499 1.784430 1.672974
H 4.794478 1.652574 -0.933334
H 4.311993 3.118283 -0.070344


%chk=000282205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282205

0 1
S -0.695613 -3.249396 -0.427600
O 0.299759 -4.231719 0.429038
O -1.413334 -3.778627 -1.794662
N -1.805396 0.217106 0.318260
N 2.096856 -0.050177 -0.146601
C -0.984983 -0.968794 0.660594
C 0.014671 -1.376047 -0.476399
C -1.875735 -2.247349 0.767481
C 1.517241 -1.411418 -0.200585
C -0.987170 1.440136 0.079859
C -2.847238 0.493275 1.350577
C -1.871043 2.589189 -0.440757
C -3.797002 1.615087 0.883712
C -3.008563 2.904052 0.557614
C 2.390349 0.497903 -1.497579
C 3.282978 0.038044 0.748330
C 2.829119 1.973628 -1.413776
C 3.746193 1.500146 0.902126
C 4.049439 2.128638 -0.477659
H -0.403880 -0.825911 1.604891
H -0.281282 -0.983560 -1.463317
H -1.944917 -2.753838 1.739509
H -2.836337 -2.155161 0.240439
H 2.012109 -2.049574 -0.973491
H 1.687438 -1.915763 0.768219
H -0.188741 1.202948 -0.640907
H -0.472599 1.761459 1.021918
H -2.371603 0.791098 2.322037
H -3.425195 -0.429672 1.539204
H -2.303570 2.294638 -1.416433
H -1.242675 3.485036 -0.609306
H -4.550887 1.805981 1.671418
H -4.335359 1.269593 -0.019677
H 1.485119 0.405758 -2.127012
H 3.196693 -0.100148 -1.997751
H 4.132187 -0.576686 0.350362
H 3.006470 -0.380108 1.733677
H -2.573434 3.314992 1.492227
H -3.684378 3.678101 0.148290
H 1.985871 2.577388 -1.024548
H 3.065271 2.344620 -2.429416
H 4.640834 1.534359 1.552890
H 2.943542 2.076061 1.402968
H 4.925938 1.619292 -0.929262
H 4.319255 3.195623 -0.366800


