%chk=000208541.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208541

0 1
S -0.551342 1.527391 1.347410
O 0.482440 1.838521 0.371643
O -1.020213 2.568581 2.245995
N 3.416516 -0.724847 -0.010332
N -0.010254 0.284247 2.399654
C 3.159242 0.379784 0.971418
C 2.482312 -0.186251 2.231072
C 1.043341 -0.662742 1.959139
C 3.523544 -0.189960 -1.410393
C 4.644380 -1.503518 0.366269
C 2.145821 0.238468 -1.915328
C 4.632240 -2.868825 -0.324312
C -1.884440 0.810050 0.523879
C -3.158534 0.836186 1.101586
C -1.697757 0.206604 -0.724679
C -4.056387 -0.355440 -0.811846
C -4.241361 0.256085 0.440408
C -2.775170 -0.376017 -1.391328
C -5.208641 -0.990776 -1.515171
H 2.473299 1.132329 0.496494
H 4.078121 0.933851 1.252909
H 2.502747 0.580347 3.027861
H 3.074870 -1.038521 2.620998
H 0.919943 -0.892241 0.874240
H 0.861459 -1.623491 2.494848
H 3.917769 -1.000911 -2.062492
H 4.237808 0.658281 -1.489454
H 5.586803 -0.964108 0.129931
H 4.635232 -1.655970 1.469241
H 0.086419 0.538495 3.391514
H 2.205487 0.654432 -2.924262
H 1.699663 1.011317 -1.259912
H 1.451343 -0.607864 -1.928265
H 5.433804 -3.509536 0.054905
H 4.755601 -2.778763 -1.409599
H 3.676121 -3.381990 -0.155042
H -3.311053 1.321475 2.072308
H -0.703248 0.198895 -1.186982
H -5.229581 0.279703 0.895356
H -2.623124 -0.844563 -2.361577
H -5.301816 -2.050290 -1.228619
H -6.166593 -0.508402 -1.275323
H -5.102212 -0.962514 -2.608662


%chk=000208541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208541

0 1
S -0.570050 1.661785 1.446389
O 0.527064 2.122523 0.322810
O -1.206739 2.730672 2.500062
N 3.436932 -0.676792 -0.016083
N 0.050246 0.309799 2.557204
C 3.284842 0.404013 0.998018
C 2.597825 -0.099224 2.288941
C 1.136888 -0.582336 2.069689
C 3.548216 -0.142978 -1.405050
C 4.547553 -1.616128 0.307702
C 2.192920 0.270931 -2.008477
C 4.343180 -3.016296 -0.302875
C -1.958750 0.798307 0.517171
C -3.180004 0.610196 1.185658
C -1.736928 0.411948 -0.811914
C -4.053654 -0.436805 -0.871307
C -4.226972 -0.012127 0.475167
C -2.802612 -0.212303 -1.500744
C -5.191476 -1.113085 -1.614033
H 2.661676 1.205753 0.564692
H 4.272951 0.859263 1.260854
H 2.618125 0.711332 3.045876
H 3.186249 -0.932111 2.720453
H 0.986711 -0.795522 0.994615
H 0.961633 -1.539700 2.598911
H 3.989206 -0.936277 -2.036423
H 4.257496 0.721826 -1.444155
H 5.535462 -1.200542 -0.016093
H 4.603305 -1.718625 1.407135
H 0.267636 0.806875 3.441763
H 2.333629 0.655648 -3.036507
H 1.703565 1.060212 -1.411109
H 1.518725 -0.604720 -2.049512
H 5.180184 -3.686315 -0.029917
H 4.289355 -2.979149 -1.405927
H 3.400221 -3.456690 0.066033
H -3.308118 0.954933 2.216407
H -0.775501 0.612290 -1.295172
H -5.192460 -0.168433 0.970457
H -2.657669 -0.522941 -2.541549
H -5.434426 -2.092982 -1.161345
H -6.112289 -0.502453 -1.578568
H -4.939547 -1.286269 -2.673747


