%chk=000270967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270967

0 1
S -0.747652 -0.896381 0.040081
O 6.158979 -0.077634 -1.037013
N 4.223028 -0.448924 0.262935
N 2.400374 -1.851887 0.104759
N 0.570409 1.437169 0.190423
N 2.995349 1.739580 0.291739
C -4.634065 0.383022 -0.036907
C -5.927989 -0.436971 -0.120311
C -3.396111 -0.528582 -0.035818
C -7.166963 0.469687 -0.121479
C -2.122206 0.300791 0.047066
C -8.458384 -0.340756 -0.204667
C 1.951736 -0.520333 0.153138
C 0.678605 0.089944 0.134841
C 3.087891 0.373309 0.238315
C 3.733649 -1.795952 0.157124
C 5.627773 0.006660 0.271920
C 1.718862 2.199573 0.264938
H -4.642595 1.008598 0.876889
H -4.580770 1.090448 -0.887289
H -5.983540 -1.145400 0.728762
H -5.921899 -1.063430 -1.033221
H -3.460489 -1.236916 0.816510
H -3.398647 -1.155070 -0.952263
H -7.115033 1.177657 -0.971844
H -7.176979 1.095288 0.792608
H -2.022169 1.002268 -0.804001
H -2.084105 0.920810 0.963854
H -8.560588 -1.026752 0.643976
H -8.499247 -0.943476 -1.119158
H -9.337238 0.313818 -0.204323
H 4.413846 -2.638853 0.129051
H 5.679308 1.049596 0.659880
H 6.263031 -0.696480 0.856705
H 1.574115 3.292011 0.305299
H 5.741811 0.578270 -1.643721


%chk=000270967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270967

0 1
S -0.687535 -1.239921 0.091210
O 5.798280 1.083000 -0.792665
N 4.312300 -0.516912 0.233781
N 2.580828 -2.030482 0.247248
N 0.617160 1.187416 -0.011026
N 3.033125 1.583099 0.044837
C -4.613024 0.320296 -0.103231
C -5.988561 -0.384773 -0.090060
C -3.430861 -0.676143 -0.019162
C -7.177540 0.600507 -0.161680
C -2.078511 0.053262 -0.035389
C -8.548235 -0.110140 -0.148908
C 2.070099 -0.720456 0.165118
C 0.761834 -0.170326 0.081072
C 3.138658 0.226860 0.151322
C 3.916808 -1.864090 0.279023
C 5.656179 0.116404 0.263539
C 1.729547 1.984977 -0.028613
H -4.557481 1.031970 0.746407
H -4.520502 0.927215 -1.027643
H -6.078320 -0.998692 0.830410
H -6.047872 -1.092251 -0.943277
H -3.524280 -1.277177 0.907216
H -3.488130 -1.385438 -0.868613
H -7.087164 1.215360 -1.080466
H -7.117583 1.306361 0.691857
H -1.914486 0.618926 -0.966285
H -1.960046 0.741881 0.816205
H -8.676712 -0.707580 0.773457
H -8.646260 -0.798269 -1.009721
H -9.380939 0.615218 -0.200015
H 4.639236 -2.675978 0.336899
H 5.788653 0.579430 1.262664
H 6.416293 -0.662749 0.101463
H 1.551282 3.060038 -0.115525
H 5.095855 1.783859 -0.662647


