%chk=000211704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211704

0 1
S -3.150243 0.370379 1.333965
S -0.647482 1.169138 2.773361
O -1.322331 0.105327 -2.059724
N -0.861619 0.614308 0.154571
C -3.161641 0.044417 -0.461452
C -1.731424 0.232111 -0.936602
C -3.670933 -1.365559 -0.747541
C 0.562122 0.848238 -0.073000
C 1.488335 -0.242079 0.074626
C -1.414864 0.746300 1.424703
C 2.861056 0.025710 -0.174629
C 0.972390 2.111352 -0.436281
C -5.164128 -1.503467 -0.476211
C 1.096165 -1.563205 0.457339
C 3.272143 1.343895 -0.553082
C 2.353707 2.355157 -0.678263
C 3.813994 -1.034476 -0.041062
C 2.032151 -2.559904 0.578720
C 3.408996 -2.293090 0.325219
H -3.814825 0.805262 -0.962038
H -3.106870 -2.114939 -0.152804
H -3.460205 -1.612935 -1.814047
H 0.262624 2.931638 -0.540341
H -5.515470 -2.511317 -0.734608
H -5.758995 -0.794945 -1.065026
H -5.410545 -1.343143 0.581388
H 0.045107 -1.766537 0.657135
H 4.330489 1.526068 -0.738354
H 2.660925 3.361057 -0.963906
H 4.863829 -0.819071 -0.235404
H 1.739422 -3.567147 0.872008
H 4.128020 -3.104643 0.429439


%chk=000211704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211704

0 1
S -3.226907 0.459477 1.390482
S -0.638913 1.266271 2.860362
O -1.305107 0.103811 -2.077690
N -0.863231 0.647887 0.177798
C -3.162104 0.051406 -0.470338
C -1.707706 0.264192 -0.902565
C -3.656571 -1.378900 -0.785093
C 0.556871 0.867878 -0.053284
C 1.471305 -0.231208 0.080613
C -1.435587 0.813535 1.455204
C 2.873497 0.021445 -0.185307
C 0.985462 2.139770 -0.427033
C -5.152828 -1.575591 -0.473861
C 1.061563 -1.549229 0.465046
C 3.292829 1.338627 -0.565437
C 2.369398 2.378492 -0.683662
C 3.809040 -1.058429 -0.061285
C 1.998073 -2.578346 0.577821
C 3.382924 -2.333833 0.311819
H -3.794218 0.794026 -0.989422
H -3.047585 -2.107450 -0.217028
H -3.461038 -1.558347 -1.860116
H 0.257367 2.951973 -0.517384
H -5.471398 -2.600051 -0.735233
H -5.777992 -0.869549 -1.051725
H -5.364555 -1.421437 0.600235
H 0.005411 -1.744269 0.678141
H 4.356105 1.518210 -0.763234
H 2.696782 3.381837 -0.973822
H 4.868690 -0.863863 -0.264759
H 1.675474 -3.582189 0.874403
H 4.104850 -3.152246 0.404448


