%chk=000251354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251354

0 1
S 2.319543 1.794493 1.009829
S -6.400159 -1.266198 0.485479
O 2.770683 2.103531 2.353525
O 2.211702 2.841137 0.032888
O 0.273670 0.418139 -0.718270
N 0.687057 1.231610 1.372701
N -1.486655 0.415520 0.814218
C 3.150482 0.435297 0.403292
C 3.012143 0.049695 -0.937188
C 4.002292 -0.291190 1.250190
C 4.567090 -1.779057 -0.580487
C 3.717007 -1.049917 -1.427671
C 4.706485 -1.389166 0.766215
C -2.505740 -0.180570 0.003385
C -0.158953 0.671636 0.394630
C 5.331052 -2.947280 -1.104559
C -3.766438 -0.374847 0.614117
C -2.287902 -0.562502 -1.328679
C -4.784676 -0.953793 -0.136075
C -3.334664 -1.141889 -2.050822
C -4.586937 -1.343639 -1.467429
C -6.441342 -0.604088 2.161888
H 2.337668 0.606968 -1.604186
H 4.118453 0.012087 2.298268
H 0.330835 1.403021 2.321653
H 3.600450 -1.342345 -2.470161
H 5.366948 -1.946264 1.427906
H -1.768632 0.683430 1.758612
H 5.530969 -3.703328 -0.332299
H 4.808049 -3.459315 -1.925074
H 6.308413 -2.626301 -1.499813
H -3.927638 -0.076957 1.645267
H -1.313447 -0.407048 -1.802910
H -3.167110 -1.438305 -3.087494
H -5.391551 -1.795094 -2.046349
H -6.241837 0.473090 2.188131
H -5.741519 -1.118548 2.829444
H -7.458593 -0.767614 2.547829


%chk=000251354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251354

0 1
S 2.217577 1.719949 1.008041
S -6.695154 -1.115798 0.634879
O 2.655446 2.052854 2.539537
O 2.126604 2.883052 -0.107963
O 0.168274 0.353163 -0.890863
N 0.535931 0.996297 1.320817
N -1.623278 0.385208 0.658020
C 3.250923 0.284952 0.369391
C 3.250175 0.010575 -1.006324
C 4.022618 -0.410942 1.312766
C 4.885233 -1.782945 -0.547482
C 4.081498 -1.038995 -1.452745
C 4.841938 -1.456556 0.834223
C -2.688690 -0.174701 -0.108580
C -0.292512 0.567232 0.266587
C 5.795872 -2.886179 -1.052911
C -3.935383 -0.330758 0.558467
C -2.549466 -0.561337 -1.464600
C -5.043224 -0.871093 -0.125598
C -3.671734 -1.103521 -2.129770
C -4.913310 -1.263795 -1.483291
C -6.444657 -0.493609 2.385580
H 2.614639 0.579899 -1.688975
H 3.993863 -0.133526 2.371243
H 0.223876 1.214392 2.274639
H 4.100345 -1.285267 -2.520255
H 5.457224 -2.021566 1.543495
H -1.872680 0.663817 1.609045
H 5.967528 -3.657723 -0.282734
H 5.377639 -3.379140 -1.947366
H 6.785287 -2.477463 -1.335758
H -4.021610 -0.026760 1.608557
H -1.592391 -0.432530 -1.971131
H -3.573654 -1.404053 -3.178702
H -5.769480 -1.684806 -2.020814
H -6.174366 0.574301 2.388046
H -5.685043 -1.094328 2.910663
H -7.418658 -0.623903 2.881867


