%chk=000275979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275979

0 1
S -1.040736 -0.074067 -1.290863
O -2.197930 -2.178823 -2.920610
O -2.182387 -3.058600 -0.852955
N -4.677249 -1.549078 -0.584049
C 0.171357 0.310006 0.067824
C 1.370582 -0.456616 -0.457696
C 0.438765 1.800713 0.082666
C -0.384581 -0.204165 1.374267
C -2.726876 0.089724 -0.627429
C 2.052095 -1.400106 0.324629
C -0.577470 2.743167 -0.128714
C 1.823853 -0.203523 -1.765995
C 1.740187 2.262467 0.350689
C -0.474747 0.626143 2.501588
C -0.824553 -1.537197 1.476193
C -3.518642 -1.017379 -1.337651
C 3.141862 -2.100507 -0.195970
C -0.298221 4.111662 -0.095194
C 2.908138 -0.907870 -2.288837
C 2.021797 3.627449 0.386323
C 3.574934 -1.867254 -1.509898
C 1.003960 4.567245 0.157699
C -1.003284 0.139140 3.701657
C -1.352178 -2.019549 2.674321
C -1.445059 -1.182568 3.791809
C 4.724161 -2.635811 -2.075652
C 1.299813 6.030744 0.202195
C -2.568161 -2.192131 -1.600399
H -3.134212 1.090881 -0.852631
H -2.739381 -0.026503 0.473508
H 1.742288 -1.594346 1.352974
H -1.601881 2.429663 -0.323033
H 1.341798 0.559263 -2.382937
H 2.545332 1.547570 0.532579
H -0.128296 1.660062 2.457471
H -0.760391 -2.211879 0.612282
H -3.903701 -0.639652 -2.329991
H 3.653948 -2.833610 0.424189
H -1.099533 4.826799 -0.269580
H 3.237991 -0.708591 -3.306563
H 3.036677 3.962676 0.591108
H -1.065536 0.795317 4.568164
H -1.690189 -3.053937 2.735055
H -1.855217 -1.561308 4.725815
H 5.267672 -2.070858 -2.844474
H 5.456230 -2.918335 -1.307460
H 4.372354 -3.566866 -2.545556
H 1.151206 6.427177 1.217660
H 2.335739 6.256036 -0.084832
H 0.650195 6.607720 -0.469629
H -5.310432 -0.802805 -0.314375
H -4.381508 -2.034404 0.262295
H -1.543484 -2.894487 -3.144288


%chk=000275979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275979

0 1
S -1.068800 -0.354711 -1.417184
O -3.388820 -2.846402 -2.514512
O -3.616994 -2.984935 -0.206794
N -5.200400 -0.568286 -0.709476
C 0.250162 0.155534 -0.032118
C 1.549204 -0.518952 -0.532723
C 0.475926 1.685050 -0.005240
C -0.267185 -0.404566 1.303526
C -2.742565 -0.020927 -0.580007
C 2.357801 -1.338317 0.290684
C -0.343157 2.619394 -0.677101
C 2.010614 -0.236246 -1.847420
C 1.577161 2.188947 0.742126
C -0.547955 0.427936 2.416245
C -0.528269 -1.798126 1.425621
C -3.877295 -0.791808 -1.314734
C 3.575595 -1.872706 -0.191676
C -0.080858 4.008009 -0.601004
C 3.217464 -0.778371 -2.326419
C 1.834433 3.570908 0.819035
C 4.025718 -1.612146 -1.507640
C 1.007310 4.512262 0.149285
C -1.056690 -0.116082 3.619906
C -1.038882 -2.341038 2.620824
C -1.301567 -1.501635 3.730644
C 5.321787 -2.203090 -2.034787
C 1.296644 6.001283 0.227764
C -3.612209 -2.299183 -1.252924
H -2.964452 1.060215 -0.599932
H -2.677895 -0.368216 0.464744
H 2.046685 -1.559904 1.316118
H -1.169359 2.257773 -1.296856
H 1.417848 0.420687 -2.494306
H 2.243515 1.487319 1.256577
H -0.370279 1.505088 2.348296
H -0.361570 -2.448027 0.560250
H -3.914938 -0.492593 -2.375226
H 4.183941 -2.501111 0.470480
H -0.730923 4.706933 -1.141825
H 3.544167 -0.547598 -3.348188
H 2.694451 3.926598 1.400496
H -1.265443 0.548678 4.465997
H -1.249150 -3.414359 2.679367
H -1.702956 -1.921549 4.659819
H 5.953253 -1.430894 -2.511825
H 5.910528 -2.672473 -1.227780
H 5.124990 -2.978948 -2.799586
H 1.290927 6.358227 1.274926
H 2.293112 6.239602 -0.189951
H 0.548665 6.588332 -0.332459
H -5.598849 0.360567 -0.859809
H -5.286553 -0.914361 0.250653
H -3.210790 -3.822981 -2.426182


