%chk=000179723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179723

0 1
S 1.042112 -3.555810 0.870520
O 3.636917 -0.121558 -1.565089
N 0.233482 0.214606 -0.168177
N 2.406352 -1.609606 -0.367917
N 0.126398 -1.103481 0.217892
N 3.318906 -2.686280 -0.494665
C 2.110352 1.686762 0.598268
C 1.589487 0.748478 -0.567580
C 1.055785 2.773208 0.866156
C 2.365249 0.876023 1.873981
C 3.412033 2.360356 0.131632
C 2.638564 -0.313906 -0.897958
C -0.848431 0.561785 -1.161556
C 1.131402 -1.930958 0.197349
C -2.184142 0.643040 -0.458307
C -3.306566 0.017933 -1.019653
C -2.314822 1.371323 0.733713
C -4.552522 0.132671 -0.395297
C -3.560114 1.478344 1.355257
C -4.682483 0.862909 0.789675
C -0.625777 -3.597502 1.556575
H 1.497874 1.393346 -1.483771
H 0.094881 2.330905 1.187166
H 1.381582 3.448249 1.664283
H 0.856696 3.382998 -0.019047
H 3.137045 0.112695 1.737607
H 1.453012 0.365645 2.212408
H 2.693239 1.522037 2.695548
H 3.263804 2.971323 -0.764571
H 3.813226 3.018651 0.909675
H 4.198688 1.633324 -0.109349
H -0.887163 -0.159860 -2.007826
H -0.614477 1.561711 -1.596631
H 3.547970 -2.828877 -1.489367
H 4.201126 -2.436255 -0.025954
H -3.213463 -0.562525 -1.934748
H -1.426547 1.835997 1.179322
H -5.423034 -0.352146 -0.833482
H -3.657567 2.039756 2.282622
H -5.652801 0.949499 1.273331
H -1.391816 -3.437023 0.785909
H -0.774253 -2.827318 2.325294
H -0.777306 -4.585074 2.008362


%chk=000179723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179723

0 1
S 1.155063 -3.560065 1.152073
O 3.736932 -0.209022 -1.637419
N 0.314222 0.077806 -0.426497
N 2.495165 -1.611139 -0.255800
N 0.164611 -1.189322 0.164870
N 3.476507 -2.641977 -0.316368
C 2.072724 1.710132 0.489339
C 1.655377 0.696430 -0.657411
C 1.019566 2.849123 0.527232
C 2.117432 0.997461 1.864036
C 3.460808 2.322687 0.163153
C 2.714901 -0.385034 -0.911871
C -0.855124 0.509169 -1.209439
C 1.224330 -1.948418 0.293734
C -2.172727 0.573576 -0.433876
C -3.384969 0.601445 -1.168322
C -2.227046 0.653845 0.977444
C -4.627678 0.726036 -0.508757
C -3.468869 0.774740 1.640480
C -4.673852 0.815008 0.902020
C -0.650487 -3.484133 1.688285
H 1.614164 1.282380 -1.597152
H 0.009079 2.464592 0.748618
H 1.284566 3.577830 1.315504
H 0.985426 3.396556 -0.434890
H 2.883063 0.200173 1.887511
H 1.140586 0.545222 2.111521
H 2.368361 1.724390 2.658372
H 3.469570 2.794180 -0.837147
H 3.707062 3.099208 0.911329
H 4.262745 1.565218 0.176172
H -1.003214 -0.144041 -2.098300
H -0.622867 1.522912 -1.586010
H 3.582029 -2.987602 -1.281461
H 4.371986 -2.295781 0.052136
H -3.357560 0.522936 -2.263221
H -1.296801 0.598024 1.550935
H -5.555442 0.747906 -1.091766
H -3.496529 0.831360 2.734792
H -5.635900 0.907458 1.418436
H -1.303385 -3.445462 0.805404
H -0.820950 -2.593062 2.309236
H -0.819974 -4.407349 2.264673


