%chk=000221350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221350

0 1
S -0.000466 -2.376699 -0.002095
O -0.477840 -3.089833 1.167468
O 0.477494 -3.088356 -1.172330
N -1.221327 -1.352824 -0.573657
N 1.219582 -1.352213 0.570461
C -2.438566 -0.979203 0.210151
C 2.437820 -0.979158 -0.212131
C -3.247040 0.087261 -0.578715
C 3.246426 0.086342 0.577913
C -2.708317 1.532988 -0.761788
C 2.708532 1.532323 0.761445
C -2.028460 -0.508795 1.611693
C -3.333844 -2.235224 0.351797
C 2.029089 -0.507743 -1.613737
C 3.332449 -2.235654 -0.353715
C -3.634311 2.227051 -1.792852
C -1.270735 1.566000 -1.302633
C -2.775881 2.332189 0.553649
C 3.634736 2.225417 1.792976
C 1.270869 1.565947 1.302036
C 2.776834 2.332028 -0.553652
H -3.458714 -0.327717 -1.585655
H -4.241401 0.165958 -0.092273
H 3.457154 -0.329330 1.584763
H 4.241164 0.164675 0.092176
H -1.284610 -1.166405 -1.577974
H 1.282792 -1.167303 1.575101
H -1.574715 -1.322000 2.198794
H -2.903136 -0.168964 2.177345
H -1.317853 0.326273 1.571804
H -3.617906 -2.652959 -0.617373
H -2.809136 -3.031773 0.905221
H -4.250122 -2.019987 0.906761
H 1.575029 -1.320285 -2.201520
H 2.904423 -0.168380 -2.178642
H 1.319135 0.327894 -1.573919
H 3.615230 -2.654305 0.615431
H 2.807921 -3.031461 -0.908385
H 4.249478 -2.020564 -0.907502
H -4.674156 2.244759 -1.453901
H -3.609131 1.723502 -2.763432
H -3.331275 3.265314 -1.960905
H -1.171565 0.990924 -2.226798
H -0.555195 1.151630 -0.569673
H -0.951029 2.590697 -1.517809
H -2.582344 3.396008 0.381898
H -3.757865 2.250555 1.027917
H -2.028069 1.982624 1.275560
H 4.674646 2.242706 1.454207
H 3.609113 1.721450 2.763326
H 3.332238 3.263769 1.961436
H 1.171266 0.990736 2.226069
H 0.555283 1.152013 0.568871
H 0.951601 2.590754 1.517326
H 2.583870 3.395883 -0.381517
H 3.758864 2.250017 -1.027755
H 2.028970 1.983149 -1.275858


%chk=000221350-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221350

0 1
S -0.000737 -2.407298 -0.002256
O -0.383084 -3.223038 1.360996
O 0.381231 -3.220361 -1.367217
N -1.311201 -1.236321 -0.611658
N 1.310248 -1.237938 0.609638
C -2.493427 -0.922862 0.279775
C 2.492747 -0.923275 -0.281048
C -3.406254 0.016465 -0.594433
C 3.405516 0.014676 0.594610
C -3.071433 1.509200 -0.931480
C 3.071697 1.507663 0.931409
C -1.990060 -0.296162 1.597332
C -3.329536 -2.200901 0.593669
C 1.989849 -0.294110 -1.597612
C 3.328906 -2.200824 -0.596833
C -4.096150 1.936761 -2.025249
C -1.642253 1.700755 -1.498503
C -3.278627 2.445171 0.292574
C 4.098897 1.936015 2.022555
C 1.643758 1.699960 1.501300
C 3.276216 2.442369 -0.294046
H -3.566176 -0.514147 -1.559061
H -4.394569 0.009730 -0.088731
H 3.564207 -0.516412 1.559182
H 4.394196 0.007274 0.089636
H -1.614757 -1.724737 -1.480531
H 1.613534 -1.728295 1.477527
H -1.514608 -1.069378 2.226508
H -2.840008 0.127737 2.159117
H -1.251603 0.498720 1.410820
H -3.744552 -2.640058 -0.333936
H -2.705352 -2.957906 1.098234
H -4.176243 -1.947699 1.257547
H 1.514406 -1.066061 -2.228346
H 2.840043 0.130678 -2.158366
H 1.251542 0.500631 -1.409832
H 3.743477 -2.641651 0.330178
H 2.704920 -2.956893 -1.103032
H 4.175936 -1.946499 -1.259870
H -5.137864 1.804063 -1.674695
H -3.967971 1.341001 -2.948990
H -3.960835 3.002645 -2.287663
H -1.476445 1.070921 -2.391988
H -0.873524 1.424361 -0.758616
H -1.490601 2.758839 -1.787720
H -3.202167 3.502278 -0.025751
H -4.281183 2.301185 0.739726
H -2.525831 2.281516 1.080221
H 5.139820 1.802863 1.669823
H 3.972674 1.341062 2.947085
H 3.964325 3.002142 2.284360
H 1.479766 1.071043 2.395764
H 0.873429 1.422934 0.763320
H 1.492866 2.758351 1.789792
H 3.199627 3.499804 0.023151
H 4.278076 2.298464 -0.742775
H 2.522142 2.277249 -1.080210


