%chk=000286229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286229

0 1
S 2.037217 -2.199235 -0.991233
O -1.419124 -0.297288 -1.236391
O -0.021641 -0.449606 0.598174
O 2.547530 -2.588083 -2.287973
O 1.674503 -3.198282 -0.025765
N 0.551722 -1.368513 -1.458836
C -3.383268 -1.821641 0.143031
C -1.158017 2.532912 -1.172470
C -3.418067 -0.306923 0.125229
C -2.328544 1.826517 -0.519557
C -2.393623 0.423497 -0.499681
C -4.435050 0.430026 0.747514
C -3.367452 2.520702 0.115055
C -4.771374 -2.432369 -0.076277
C -2.762650 -2.291373 1.464175
C -0.123607 2.883237 -0.095021
C -1.597655 3.773938 -1.956267
C -4.409117 1.827335 0.737862
C -0.267785 -0.690534 -0.563504
C 3.008848 -0.978607 -0.302289
C 2.787895 -0.543417 1.011924
C 4.055908 -0.419997 -1.051635
C 4.652932 0.997972 0.823891
C 3.604701 0.437965 1.572944
C 4.873471 0.559718 -0.496474
C 5.536780 2.036578 1.425999
H -2.724304 -2.167966 -0.698793
H -0.682355 1.822682 -1.901646
H -5.247860 -0.093671 1.249157
H -3.357530 3.609559 0.128297
H -5.445866 -2.237789 0.764398
H -4.703627 -3.520423 -0.190127
H -5.243281 -2.032981 -0.981096
H -1.768570 -1.844328 1.616723
H -2.637845 -3.379178 1.480633
H -3.377387 -2.013259 2.326277
H -0.522698 3.598080 0.632610
H 0.776555 3.322615 -0.534481
H 0.177965 1.986558 0.467192
H -2.394804 3.530935 -2.668528
H -0.760981 4.193666 -2.525487
H -1.971927 4.566253 -1.299066
H -5.207542 2.383228 1.228029
H 0.204242 -1.467265 -2.428620
H 1.960529 -0.965583 1.601703
H 4.234596 -0.760879 -2.079340
H 3.423348 0.770001 2.594344
H 5.685505 0.986105 -1.082691
H 5.944281 2.731581 0.678352
H 5.018782 2.646100 2.180402
H 6.397636 1.568431 1.930633


%chk=000286229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286229

0 1
S 2.066677 -2.242540 -0.915085
O -1.453546 -0.278012 -1.244610
O -0.056111 -0.470543 0.664435
O 2.637622 -2.728829 -2.354801
O 1.640286 -3.299513 0.228127
N 0.566923 -1.278758 -1.452521
C -3.468074 -1.858100 0.145332
C -1.288796 2.623506 -1.175850
C -3.484369 -0.326879 0.135851
C -2.429479 1.850537 -0.507754
C -2.472223 0.434514 -0.499122
C -4.504804 0.398317 0.800957
C -3.474421 2.525671 0.171043
C -4.827296 -2.461227 -0.292563
C -3.048967 -2.384745 1.546868
C -0.320323 3.188474 -0.098304
C -1.806962 3.751251 -2.104460
C -4.501893 1.808665 0.819180
C -0.285692 -0.667790 -0.549126
C 3.205564 -0.929483 -0.199231
C 3.064153 -0.569688 1.149743
C 4.184983 -0.406116 -1.057942
C 4.981001 0.957299 0.837820
C 3.969325 0.387825 1.656917
C 5.074230 0.548807 -0.519694
C 5.962408 1.962604 1.410432
H -2.707585 -2.196741 -0.582505
H -0.718529 1.913451 -1.803190
H -5.306050 -0.149456 1.308966
H -3.480286 3.621086 0.191483
H -5.633607 -2.209754 0.421135
H -4.755667 -3.563635 -0.335901
H -5.128595 -2.094118 -1.290239
H -2.065768 -1.979865 1.843478
H -2.984324 -3.488502 1.539408
H -3.789279 -2.089301 2.314002
H -0.838856 3.922415 0.546648
H 0.535976 3.698889 -0.577866
H 0.067382 2.380813 0.547573
H -2.493614 3.354636 -2.873808
H -0.958812 4.241633 -2.617167
H -2.346385 4.531377 -1.535995
H -5.299707 2.349388 1.340298
H 0.277898 -1.470507 -2.418282
H 2.276199 -1.006301 1.768820
H 4.254406 -0.744013 -2.096789
H 3.883243 0.698239 2.704137
H 5.851030 0.978509 -1.162160
H 6.327993 2.659632 0.636890
H 5.507659 2.555695 2.222354
H 6.846457 1.448186 1.834370


