%chk=000253345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253345

0 1
S -1.466463 1.188927 -0.117158
S -3.968809 -0.508495 -0.365647
O 2.286158 -2.127969 -0.949411
O 3.014530 4.096776 -1.279168
N 1.149957 1.216622 -0.028876
N -1.934262 -1.171478 1.150057
C 2.010412 -0.004280 -0.037151
C 1.942991 2.481176 0.014670
C 0.059266 1.164359 0.943469
C 1.239327 -1.158737 -0.696942
C 2.203691 2.908894 -1.440147
C -2.338367 -0.232567 0.337319
C 1.790098 -3.385292 -1.477097
C 3.366670 4.731766 -2.535612
C -4.088949 -2.008855 0.521699
C -2.904638 -2.203547 1.286077
C 3.041809 -4.227223 -1.655025
C 4.202415 5.929185 -2.118256
C -5.128490 -2.931758 0.546672
C -2.764576 -3.345149 2.089790
C -4.977673 -4.064368 1.349699
C -3.810478 -4.265670 2.110256
H 2.361618 -0.307142 0.972105
H 2.929178 0.192419 -0.638416
H 2.909774 2.381353 0.554980
H 1.388024 3.292839 0.534542
H -0.016245 2.052024 1.605496
H 0.052877 0.258746 1.590425
H 0.476359 -1.598651 -0.031957
H 0.780470 -0.860222 -1.655608
H 2.767462 2.151617 -2.010169
H 1.270841 3.159280 -1.972763
H 1.084868 -3.824978 -0.750091
H 1.272096 -3.191731 -2.432547
H 3.935859 4.013930 -3.151637
H 2.440326 5.025459 -3.059488
H 3.750461 -3.738068 -2.336876
H 3.567576 -4.355982 -0.699337
H 2.806634 -5.218159 -2.055255
H 3.630807 6.597727 -1.460275
H 5.086301 5.612340 -1.548119
H 4.540543 6.505846 -2.984842
H -6.032962 -2.778713 -0.039470
H -1.859156 -3.492617 2.676305
H -5.774937 -4.805492 1.390974
H -3.726690 -5.160645 2.727301


%chk=000253345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253345

0 1
S -1.312435 1.567652 -0.058548
S -3.752854 -0.315301 -0.645249
O 2.226647 -2.083101 -0.605642
O 2.906039 3.885895 -1.261014
N 1.519407 1.236473 1.000098
N -1.752009 -0.940523 1.061309
C 2.025831 -0.132001 0.754068
C 2.300568 2.384682 0.498938
C 0.224778 1.423343 1.451731
C 1.485705 -0.820831 -0.517665
C 2.185866 2.634987 -1.021245
C -2.144698 0.024665 0.249523
C 1.676717 -2.990398 -1.625846
C 2.922728 4.268220 -2.682747
C -3.786287 -1.910077 0.222934
C -2.639776 -2.035315 1.076693
C 2.524314 -4.262132 -1.615621
C 3.680734 5.590087 -2.795682
C -4.751790 -2.930212 0.131607
C -2.470277 -3.209498 1.847970
C -4.566751 -4.096479 0.910645
C -3.436291 -4.232601 1.759416
H 1.771230 -0.771403 1.618606
H 3.127713 -0.086576 0.686245
H 3.365430 2.238951 0.757036
H 1.957627 3.299825 1.015450
H 0.038428 2.403558 1.908181
H -0.199602 0.566060 1.992507
H 0.397993 -1.010998 -0.423689
H 1.662398 -0.204530 -1.425757
H 2.648194 1.806070 -1.601617
H 1.120377 2.722870 -1.326326
H 0.613472 -3.214222 -1.388050
H 1.708298 -2.497430 -2.623274
H 3.419572 3.468971 -3.276970
H 1.878743 4.371845 -3.053241
H 3.576865 -4.027968 -1.851398
H 2.490248 -4.738467 -0.620638
H 2.147282 -4.983166 -2.363644
H 3.177925 6.374989 -2.204996
H 4.711035 5.477919 -2.416308
H 3.727790 5.919009 -3.849765
H -5.624901 -2.831312 -0.520662
H -1.594377 -3.301611 2.497321
H -5.307163 -4.901769 0.856251
H -3.314040 -5.144654 2.353560


