%chk=000278790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278790

0 1
S -1.495553 0.148272 -1.715450
S 1.710121 0.278982 -1.816131
O 0.052075 -1.839453 1.802526
O -2.504828 -0.821722 -2.056048
O -0.518973 0.619725 -2.678220
O 2.118745 -2.592653 2.274113
N -0.507953 -0.601838 -0.487659
C 3.161143 -0.800193 0.043697
C 1.772039 -1.105235 0.390541
C 0.868834 -0.561897 -0.509094
C 3.280817 -0.063389 -1.093871
C 4.317239 -1.249099 0.882377
C -2.217319 1.460739 -0.885960
C 4.472541 0.452021 -1.787178
C 4.721905 -0.169506 1.886155
C 1.430057 -1.911186 1.547070
C -1.491622 2.640368 -0.667863
C -3.539950 1.365415 -0.433353
C -3.403878 3.614085 0.466527
C -2.077918 3.710167 0.004582
C -4.131937 2.432296 0.239854
C -0.489054 -2.690026 2.855487
C -4.022671 4.762892 1.186524
C -0.762590 -4.070951 2.294282
H 4.060207 -2.187708 1.428918
H 5.177980 -1.513235 0.234954
H -0.923225 -1.197395 0.265285
H 5.392464 0.267612 -1.209824
H 4.609456 -0.026420 -2.770100
H 4.415806 1.538380 -1.954252
H 4.982637 0.769878 1.386535
H 5.584225 -0.489359 2.480833
H 3.902218 0.043759 2.584003
H -0.460650 2.728381 -1.031797
H -4.116571 0.449820 -0.615185
H -1.508542 4.623453 0.172622
H -5.160465 2.349766 0.587907
H 0.226107 -2.710336 3.699084
H -1.405552 -2.140689 3.132717
H -5.054213 4.566566 1.509817
H -3.449707 5.027376 2.089122
H -4.052307 5.663825 0.553648
H -1.296504 -4.700117 3.015244
H -1.361385 -4.026131 1.376269
H 0.176348 -4.585740 2.039796


%chk=000278790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278790

0 1
S -1.686867 -0.129366 0.086001
S 1.805616 1.697806 0.523410
O 0.457454 -2.399548 2.101898
O -2.823100 -1.120905 0.739819
O -0.899589 -0.529684 -1.296055
O 2.363367 -3.331899 1.137473
N -0.187861 0.230961 1.669775
C 3.298691 -0.519134 0.508100
C 2.020793 -0.910297 1.065889
C 1.081468 0.161468 1.176584
C 3.343726 0.837744 0.152602
C 4.487100 -1.449978 0.350343
C -2.497987 1.541971 -0.200318
C 4.464888 1.628830 -0.460440
C 5.249642 -1.666211 1.685105
C 1.680308 -2.313243 1.411963
C -2.010583 2.350639 -1.241269
C -3.566887 1.913866 0.629621
C -3.722592 4.024160 -0.640646
C -2.637934 3.596414 -1.453535
C -4.177168 3.166682 0.395050
C -0.099195 -3.772418 2.341896
C -4.383773 5.367839 -0.887921
C -0.981761 -4.198260 1.165959
H 4.132640 -2.428089 -0.013904
H 5.182452 -1.044448 -0.406325
H -0.415011 -0.661403 2.165594
H 5.338490 0.988252 -0.660596
H 4.156070 2.089698 -1.417455
H 4.795062 2.447765 0.206407
H 5.619425 -0.709913 2.098122
H 6.115435 -2.334313 1.527426
H 4.593329 -2.138570 2.436364
H -1.187760 2.002285 -1.873567
H -3.923799 1.238622 1.413501
H -2.281425 4.243832 -2.263419
H -5.017887 3.478486 1.024956
H 0.748786 -4.461033 2.497558
H -0.675187 -3.656299 3.273996
H -5.191463 5.563182 -0.162763
H -3.652240 6.193591 -0.811034
H -4.821617 5.415831 -1.902509
H -1.449389 -5.174247 1.395397
H -1.780193 -3.458452 0.983527
H -0.383876 -4.312714 0.245922


