%chk=000216667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216667

0 1
S 1.795236 -1.366615 1.409202
S -3.701536 -3.975239 -0.084796
N -0.076773 1.061844 0.294108
N -2.436901 2.822341 -0.195100
C 0.065952 2.467723 -0.219746
C -1.173142 1.228932 1.309578
C 0.181349 3.262148 1.109104
C -0.638783 2.434891 2.128132
C -1.187336 2.905829 -1.025201
C -2.527517 1.571510 0.632453
C -0.270784 0.000695 -0.736661
C 1.007664 -0.181884 -1.596960
C -0.607028 -1.319099 -0.069187
C -3.638895 2.937370 -1.074868
C 2.293183 0.188928 -0.920231
C 0.270848 -1.970757 0.796312
C -1.841862 -1.925250 -0.376308
C 2.661912 -0.271109 0.345674
C 3.181151 1.042010 -1.609092
C -0.066656 -3.216775 1.357713
C -2.172631 -3.152631 0.186323
C -1.289198 -3.809733 1.056947
C 3.880701 0.119967 0.928776
C 4.394515 1.423302 -1.041973
C 4.744853 0.963689 0.234619
C -4.406567 -3.228670 -1.568605
H 0.977333 2.558739 -0.847320
H -1.273596 0.309050 1.924094
H -0.218274 4.282410 1.005714
H 1.234769 3.343576 1.420457
H -0.004467 2.086831 2.958865
H -1.460586 3.026869 2.558668
H -1.080586 3.972548 -1.319843
H -1.245784 2.318980 -1.965075
H -2.887504 0.691081 0.062045
H -3.288565 1.773729 1.417908
H -1.103929 0.266336 -1.447723
H 0.885842 0.407391 -2.529373
H 1.072360 -1.240621 -1.935551
H -3.754797 2.135884 -1.818106
H -3.600394 3.901636 -1.606978
H -4.541830 2.958337 -0.443189
H -2.528676 -1.418228 -1.051687
H 2.914892 1.407254 -2.599291
H 0.628791 -3.729565 2.027418
H -1.546676 -4.776975 1.490910
H 4.160099 -0.231039 1.924658
H 5.070124 2.079356 -1.587186
H 5.689226 1.265422 0.682980
H -3.710914 -3.250188 -2.414808
H -4.735731 -2.198464 -1.397490
H -5.288883 -3.825767 -1.842412


%chk=000216667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216667

0 1
S 1.795187 -1.206312 1.656165
S -3.549136 -4.347438 -0.267271
N -0.228033 1.044037 0.268651
N -2.464823 2.918260 -0.227986
C -0.017981 2.440642 -0.228553
C -1.352219 1.233358 1.237960
C 0.094813 3.218743 1.113777
C -0.802324 2.401469 2.104098
C -1.237402 2.927684 -1.060202
C -2.661893 1.645696 0.509111
C -0.298909 -0.061385 -0.705975
C 1.006166 -0.132919 -1.564565
C -0.575499 -1.397535 -0.017633
C -3.662923 3.352078 -0.961114
C 2.329296 0.196042 -0.882168
C 0.301223 -1.981601 0.929752
C -1.739255 -2.114607 -0.395555
C 2.739284 -0.236492 0.408091
C 3.253673 0.982004 -1.627105
C -0.011608 -3.247022 1.490983
C -2.057623 -3.371002 0.164469
C -1.181600 -3.936485 1.124984
C 4.020892 0.117624 0.911208
C 4.527122 1.333308 -1.137909
C 4.912368 0.896656 0.149838
C -4.370760 -3.279243 -1.571178
H 0.902038 2.510929 -0.833250
H -1.523218 0.311093 1.818404
H -0.257277 4.258564 1.004596
H 1.146230 3.230840 1.447861
H -0.204113 1.996102 2.937546
H -1.620919 3.015276 2.516221
H -1.059108 3.962380 -1.412389
H -1.347291 2.287099 -1.976865
H -2.988661 0.813405 -0.169973
H -3.470909 1.791427 1.251078
H -1.127276 0.071126 -1.448551
H 0.895246 0.565370 -2.415954
H 1.048038 -1.147760 -2.007032
H -3.955814 2.654682 -1.789275
H -3.489552 4.349600 -1.404829
H -4.519016 3.430294 -0.266204
H -2.395492 -1.654294 -1.142354
H 2.950744 1.322092 -2.625763
H 0.676567 -3.700394 2.212604
H -1.400319 -4.912915 1.570939
H 4.319360 -0.228723 1.907712
H 5.206268 1.937672 -1.748516
H 5.895276 1.154154 0.559007
H -3.707782 -3.145887 -2.440471
H -4.666522 -2.305213 -1.150565
H -5.270532 -3.834482 -1.877951


