%chk=000213294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213294

1 1
S 1.156901 0.913754 -1.843750
S 0.673185 -2.931464 -0.186419
O 2.118652 -0.143370 1.910536
O -0.788278 -1.279092 0.575590
N -3.524739 0.461210 -0.045387
N -0.660858 0.684321 1.671911
C -3.799052 -1.024600 0.230614
C -4.873226 1.017621 -0.546195
C -4.875148 -1.442912 -0.774925
C -5.595503 -0.157907 -1.218632
C -3.085935 1.228917 1.201801
C -2.500135 0.595222 -1.148256
C -2.063490 0.520609 2.113237
C -0.068129 -0.355013 0.973825
C 0.086979 1.853598 2.186158
C 1.464066 -0.355069 0.646815
C 1.813122 0.799694 -0.230783
C 1.849617 -1.662134 0.052764
C 2.659451 1.839346 0.010752
C 3.086368 -2.069162 -0.362956
C 2.761362 2.759585 -1.101638
C 3.096852 -3.420345 -0.865548
C 1.999878 2.406616 -2.170345
C 1.872437 -4.015354 -0.831231
H -4.154291 -1.157337 1.274788
H -2.851894 -1.620137 0.134937
H -4.715071 1.871505 -1.237329
H -5.466669 1.404995 0.311175
H -4.433457 -1.973151 -1.642449
H -5.580333 -2.167533 -0.320434
H -6.666121 -0.177544 -0.931499
H -5.591396 -0.060896 -2.322079
H -3.994399 1.447326 1.815892
H -2.678231 2.220362 0.885696
H -1.609039 -0.044273 -0.952117
H -2.906739 0.255587 -2.118788
H -2.143172 1.631633 -1.265175
H -2.291817 -0.571847 2.213225
H -2.176364 0.942992 3.144288
H -0.466922 2.381427 2.976866
H 0.300715 2.564332 1.367493
H 1.061093 1.538165 2.623454
H 2.561903 -0.971696 2.223569
H 3.217228 1.978373 0.931848
H 3.983253 -1.460747 -0.334144
H 3.401516 3.634224 -1.054750
H 4.006025 -3.884739 -1.228472
H 1.898930 2.905874 -3.120977
H 1.609774 -5.012766 -1.146059


%chk=000213294-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213294

1 1
S 1.008561 0.658972 -2.023426
S 1.579516 -3.279544 1.134222
O 2.089164 -0.030291 1.949167
O -0.793146 -1.372539 0.349525
N -3.653485 0.550267 0.055238
N -0.688647 0.507679 1.685995
C -3.991722 -0.959692 0.009639
C -4.999502 1.207954 -0.338190
C -4.913523 -1.114732 -1.217366
C -5.610014 0.275959 -1.411687
C -3.215029 1.019468 1.453742
C -2.603518 0.886335 -1.003222
C -2.071555 0.235359 2.136352
C -0.084964 -0.463050 0.900187
C -0.028434 1.680360 2.306266
C 1.464509 -0.418526 0.651765
C 1.782489 0.661495 -0.379969
C 2.002620 -1.767948 0.221344
C 2.660674 1.725347 -0.251482
C 2.966653 -2.033011 -0.744586
C 2.743219 2.562153 -1.426608
C 3.384784 -3.410823 -0.790291
C 1.922138 2.146477 -2.458835
C 2.752132 -4.206588 0.150576
H -4.524082 -1.187736 0.949977
H -3.047835 -1.525636 -0.031243
H -4.807146 2.237184 -0.680105
H -5.620300 1.240709 0.572807
H -4.335029 -1.395975 -2.112219
H -5.645597 -1.918681 -1.041482
H -6.700404 0.209389 -1.269082
H -5.441599 0.665354 -2.428590
H -4.110876 0.926673 2.094374
H -2.967114 2.092158 1.363855
H -1.737920 0.227519 -0.866164
H -3.037713 0.718893 -1.999394
H -2.312358 1.942256 -0.896485
H -2.251647 -0.849580 2.067149
H -2.127853 0.512533 3.206997
H 0.350885 1.438985 3.313721
H -0.762668 2.503879 2.376602
H 0.815201 2.015623 1.691303
H 2.900849 -0.590543 2.060972
H 3.232941 1.897270 0.662415
H 3.367776 -1.262860 -1.406829
H 3.394389 3.436034 -1.499614
H 4.126256 -3.794537 -1.494047
H 1.791956 2.571611 -3.452811
H 2.865863 -5.273404 0.336436


