%chk=000191619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191619

0 1
S 3.399853 1.030629 0.791611
O 3.105924 -1.522967 0.031465
N -3.469264 -0.581030 -0.925509
N -2.422478 1.526640 -0.116636
N 5.222787 -0.623100 -0.143366
C -1.695471 -0.631009 0.841230
C -2.950348 0.164789 0.265572
C -1.612321 -1.913702 -0.016202
C -0.538149 0.303247 0.560867
C -2.440557 -1.614657 -1.279006
C -1.006478 1.490226 -0.085236
C -1.846258 -0.921958 2.328096
C -4.813803 -1.173289 -0.677309
C 0.805699 0.130827 0.823379
C -3.097873 2.235182 -1.227720
C -0.111428 2.485006 -0.495684
C 1.691486 1.147266 0.420134
C 1.252279 2.296572 -0.238580
C 3.876517 -0.598991 0.142844
C 5.877987 -1.870148 -0.592143
H -3.740552 0.341325 1.031917
H -2.012936 -2.785233 0.526888
H -0.566260 -2.163799 -0.266908
H -1.799479 -1.163300 -2.068865
H -2.891992 -2.525426 -1.709530
H -0.983277 -1.483188 2.708957
H -1.902821 0.006991 2.911309
H -2.744158 -1.509252 2.545291
H -5.166084 -1.652582 -1.605763
H -5.527384 -0.367339 -0.441729
H -4.847416 -1.919199 0.130476
H 1.179705 -0.777279 1.302577
H -2.790610 3.293009 -1.225034
H -4.189137 2.191029 -1.074062
H -2.885377 1.796388 -2.217557
H -0.459755 3.381151 -0.997385
H 1.964181 3.059454 -0.559510
H 5.816411 0.195924 -0.053142
H 6.656577 -2.181196 0.124121
H 6.335841 -1.731135 -1.585742
H 5.140720 -2.693676 -0.671615


%chk=000191619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191619

0 1
S 3.487654 1.009712 0.882635
O 3.117617 -1.426936 -0.461594
N -3.499407 -0.682820 -0.938993
N -2.398090 1.447755 -0.327113
N 5.321490 -0.731149 -0.082473
C -1.757490 -0.586080 0.852880
C -2.982621 0.174910 0.157422
C -1.666127 -1.924651 0.042797
C -0.571314 0.334528 0.564100
C -2.361362 -1.583396 -1.303893
C -1.016481 1.483392 -0.155368
C -1.973355 -0.817271 2.364822
C -4.761495 -1.390954 -0.626998
C 0.779099 0.170560 0.881943
C -3.156852 2.381346 -1.147488
C -0.094844 2.469628 -0.586031
C 1.708973 1.156587 0.453649
C 1.275064 2.286051 -0.278152
C 3.950383 -0.598211 -0.025573
C 5.973565 -1.926924 -0.635689
H -3.813488 0.387543 0.859962
H -2.218657 -2.726578 0.570216
H -0.620813 -2.252435 -0.087758
H -1.663083 -1.037727 -1.965432
H -2.728950 -2.467982 -1.851163
H -1.120411 -1.368124 2.802570
H -2.064065 0.142256 2.905452
H -2.889710 -1.410196 2.547726
H -5.117014 -1.912883 -1.533052
H -5.535646 -0.656871 -0.341348
H -4.684569 -2.145568 0.193200
H 1.130923 -0.710274 1.427957
H -2.880100 3.424900 -0.902571
H -4.233205 2.252913 -0.943675
H -3.001998 2.220840 -2.234339
H -0.416938 3.344164 -1.159860
H 2.011347 3.022791 -0.616511
H 5.900110 0.040773 0.253214
H 6.620960 -2.411560 0.118309
H 6.580245 -1.675652 -1.525247
H 5.184956 -2.634206 -0.936033


