%chk=000278202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278202

0 1
S -1.752345 -2.825618 0.424922
O 3.498585 0.640771 -1.809492
O -2.327208 -3.580686 -0.676728
O -1.637149 -3.462377 1.713886
N -0.166501 -2.461895 -0.197649
N 0.581947 -1.711769 0.671327
C 3.319346 0.494868 0.927937
C 2.528262 -0.657480 1.566060
C 2.448568 1.426739 0.134693
C 1.870710 -1.556483 0.542161
C 2.550529 1.500373 -1.278628
C 1.516115 2.254825 0.761352
C -2.533904 -1.304586 0.569044
C 2.759309 -2.168723 -0.494721
C 1.758418 2.369532 -2.033316
C 0.711795 3.131524 0.018526
C -3.512976 -0.936363 -0.362422
C -2.202322 -0.433178 1.612773
C -3.837620 1.166048 0.802741
C 0.833782 3.185319 -1.368846
C -4.165668 0.289839 -0.247724
C -2.852053 0.796160 1.733375
C -4.544880 2.473187 0.938953
C 3.737698 0.699885 -3.235669
H 3.839508 1.064316 1.726664
H 4.129290 0.087523 0.283201
H 3.205318 -1.272996 2.194442
H 1.765742 -0.245955 2.263253
H 1.409437 2.217967 1.845370
H 2.991743 -1.418490 -1.275935
H 2.316192 -3.037996 -0.993773
H 3.717273 -2.494069 -0.069062
H 0.290963 -3.077893 -0.885923
H 1.839726 2.418921 -3.113457
H -0.008444 3.764756 0.529651
H -3.770346 -1.617663 -1.183082
H -1.429594 -0.713772 2.338042
H 0.207937 3.863655 -1.947122
H -4.928400 0.567644 -0.971871
H -2.591832 1.467327 2.548744
H -3.900756 3.255992 1.362796
H -4.920818 2.852260 -0.021278
H -5.414291 2.374663 1.608230
H 4.080030 1.697857 -3.524651
H 2.838318 0.403606 -3.783555
H 4.538370 -0.039867 -3.361541


%chk=000278202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278202

0 1
S -1.464273 -2.815968 0.591968
O 1.998430 0.492648 -1.568079
O -2.090498 -3.928801 -0.420866
O -1.423803 -3.042708 2.201365
N 0.304215 -2.527900 -0.159659
N 1.082757 -1.778861 0.716558
C 3.698522 0.477651 0.695431
C 3.188655 -0.817443 1.424277
C 2.610033 1.521223 0.508652
C 2.387190 -1.736387 0.530390
C 1.738044 1.498416 -0.619395
C 2.411102 2.533735 1.475070
C -2.231264 -1.144301 0.232190
C 3.093236 -2.515430 -0.562635
C 0.698126 2.449260 -0.756262
C 1.381781 3.496202 1.349578
C -2.955374 -0.999723 -0.961317
C -2.055136 -0.111813 1.166581
C -3.388727 1.341764 -0.316021
C 0.524377 3.445857 0.230534
C -3.538067 0.259873 -1.224445
C -2.640691 1.138648 0.874058
C -4.040393 2.683818 -0.595940
C 1.044350 0.337228 -2.669622
H 4.509467 0.909215 1.311751
H 4.136191 0.198127 -0.279929
H 4.074207 -1.369607 1.798532
H 2.573132 -0.529262 2.293717
H 3.080664 2.566080 2.343900
H 2.703429 -2.218539 -1.554387
H 2.933198 -3.608834 -0.455271
H 4.179253 -2.333209 -0.546699
H 0.634727 -3.487931 -0.413434
H 0.021873 2.421448 -1.615657
H 1.256028 4.271959 2.112235
H -3.069579 -1.848468 -1.643634
H -1.480954 -0.280104 2.082001
H -0.278407 4.183496 0.114877
H -4.117994 0.401738 -2.143758
H -2.506292 1.968679 1.576776
H -3.422114 3.519403 -0.222857
H -4.212884 2.836811 -1.675339
H -5.023581 2.755342 -0.092017
H 1.021977 1.238204 -3.313518
H 0.030398 0.116783 -2.286035
H 1.412469 -0.520620 -3.251965


