%chk=000277503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277503

0 1
S 2.282469 -1.500694 -1.675665
O 3.288464 -0.796318 -2.442924
O 1.765060 -2.754027 -2.150947
O -1.974423 1.163298 -2.773090
N 0.980256 -0.312923 -1.675985
N -0.070303 -0.661913 -0.902209
C 2.749874 -1.610825 -0.032862
C 1.978518 -2.345678 0.876580
C 3.918758 -0.971412 0.402809
C 3.543213 -1.803552 2.650588
C -1.172679 0.028814 -0.848107
C -2.253787 -0.456696 0.044200
C 2.371306 -2.442995 2.211428
C 4.316393 -1.066044 1.734308
C -1.516423 1.263794 -1.658055
C -1.254101 2.582119 -1.012268
C 3.974959 -1.919247 4.073162
C -2.775442 0.377414 1.044847
C -2.761896 -1.754298 -0.127753
C -0.339286 2.720010 0.042270
C -1.935149 3.709159 -1.500202
C -3.803248 -0.089347 1.868155
C -3.790086 -2.211360 0.700483
C -4.311876 -1.381236 1.697860
C -0.112372 3.977609 0.606168
C -1.710261 4.963834 -0.928766
C -0.798792 5.097955 0.123541
H 1.061059 -2.845693 0.542432
H 4.526137 -0.397792 -0.308773
H 1.766525 -3.016554 2.911992
H 5.227777 -0.571324 2.065002
H 0.914248 0.418743 -2.401649
H 4.636756 -2.790277 4.207820
H 4.533276 -1.037877 4.418724
H 3.128895 -2.052536 4.762227
H -2.383317 1.384199 1.182089
H -2.353658 -2.398832 -0.907416
H 0.200317 1.850068 0.421975
H -2.636896 3.593507 -2.331215
H -4.209867 0.557162 2.644208
H -4.186522 -3.216812 0.565450
H -5.114551 -1.739479 2.339626
H 0.600785 4.086326 1.421893
H -2.241901 5.836367 -1.306196
H -0.620712 6.077361 0.567648


%chk=000277503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277503

0 1
S 2.432255 -1.716539 -1.970364
O 3.643026 -1.044004 -2.815447
O 1.586085 -2.986256 -2.522434
O 0.218038 2.015350 -2.181590
N 1.208813 -0.196140 -1.683936
N 0.232866 -0.404442 -0.843591
C 2.994618 -2.089557 -0.217603
C 2.266963 -3.031637 0.526092
C 4.133113 -1.423715 0.265635
C 3.861487 -2.673104 2.376585
C -0.725503 0.519944 -0.569067
C -1.811904 0.060927 0.341653
C 2.715943 -3.314698 1.835533
C 4.559879 -1.728735 1.575547
C -0.643968 1.841335 -1.220382
C -1.448020 3.028390 -0.792920
C 4.353680 -3.009231 3.771978
C -3.174671 0.361362 0.071474
C -1.500982 -0.746644 1.468838
C -1.849857 3.241783 0.553945
C -1.723717 4.026867 -1.767025
C -4.196055 -0.116963 0.919583
C -2.523732 -1.226281 2.314356
C -3.876495 -0.909590 2.046681
C -2.527669 4.426401 0.910806
C -2.419936 5.198908 -1.411075
C -2.824611 5.402078 -0.069712
H 1.396570 -3.532581 0.091480
H 4.672365 -0.710751 -0.366525
H 2.169904 -4.046213 2.441770
H 5.448259 -1.229542 1.979219
H 1.209189 0.679173 -2.288539
H 5.202387 -3.718663 3.727654
H 4.709438 -2.109228 4.303889
H 3.562581 -3.478323 4.381192
H -3.436803 0.958810 -0.808026
H -0.452797 -0.995268 1.668204
H -1.622113 2.496769 1.321384
H -1.377473 3.867025 -2.793163
H -5.241678 0.120410 0.694347
H -2.266562 -1.844130 3.182154
H -4.671094 -1.280662 2.703456
H -2.823582 4.587899 1.952917
H -2.640205 5.955527 -2.171773
H -3.360537 6.315940 0.210201


