%chk=000180658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180658

0 1
S 2.966880 1.256805 0.425376
O 2.790158 -1.391296 0.286650
N 0.966455 -0.207873 -0.499060
C -1.051248 -1.483395 0.252322
C 0.115291 -1.394052 -0.762740
C -1.975380 -0.291798 0.108067
C -1.806172 -2.802560 0.067495
C -2.764492 -0.120395 -1.039510
C -2.032516 0.666540 1.131419
C -3.601079 0.992308 -1.158514
C -2.870278 1.778613 1.008787
C -3.655930 1.944612 -0.135671
C 2.213161 -0.350911 0.067220
C 4.632892 0.758583 0.993622
C 5.659913 1.332820 0.046982
H -0.609919 -1.483093 1.284410
H 0.738938 -2.318548 -0.707132
H -0.269427 -1.324422 -1.804207
H -2.675943 -2.851005 0.735529
H -1.168357 -3.663837 0.299305
H -2.178484 -2.931627 -0.954714
H 0.510010 0.700482 -0.581610
H -2.730399 -0.857544 -1.839279
H -1.425553 0.546590 2.027705
H -4.212547 1.117667 -2.050750
H -2.910091 2.517152 1.808200
H -4.307964 2.810368 -0.229973
H 4.757738 1.135755 2.026328
H 4.689994 -0.353218 1.040245
H 5.543251 0.943453 -0.974935
H 5.608358 2.427982 -0.017688
H 6.678842 1.076642 0.371219


%chk=000180658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180658

0 1
S 2.899825 1.497173 0.694467
O 2.941814 -1.260137 0.345370
N 0.968377 -0.151104 -0.254891
C -1.079209 -1.533801 0.254972
C 0.199127 -1.351913 -0.619064
C -2.011029 -0.325716 0.121184
C -1.769300 -2.870863 -0.110055
C -2.726285 -0.074281 -1.080705
C -2.150528 0.596420 1.190541
C -3.559642 1.058929 -1.205343
C -2.984524 1.732766 1.070668
C -3.692899 1.968149 -0.129276
C 2.257005 -0.211458 0.220944
C 4.690140 0.999226 1.067249
C 5.590352 1.063097 -0.173161
H -0.741513 -1.592849 1.308241
H 0.872381 -2.216450 -0.491402
H -0.089144 -1.297850 -1.688188
H -2.676603 -3.022930 0.500088
H -1.087045 -3.722673 0.066242
H -2.071189 -2.897458 -1.173578
H 0.499229 0.756370 -0.311568
H -2.638984 -0.769968 -1.924309
H -1.605348 0.419339 2.125931
H -4.105803 1.233545 -2.139410
H -3.079312 2.430251 1.910556
H -4.340589 2.846553 -0.225811
H 5.014003 1.688823 1.864212
H 4.628063 -0.027252 1.466384
H 5.242422 0.350712 -0.940530
H 5.603725 2.074863 -0.614680
H 6.628585 0.791290 0.100017


