%chk=000188795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188795

0 1
S -3.484968 -1.265074 0.914445
S -2.247400 3.748988 0.107784
N 4.522262 -0.934046 -0.341268
N 1.854555 1.477443 -1.497736
N -0.109420 2.429655 -0.661049
N -1.960788 1.067385 0.137525
C 3.586897 0.226142 -0.192703
C 2.883798 0.418596 -1.556748
C 0.619389 1.272718 -0.903062
C 4.672682 -1.665552 0.951444
C 5.855853 -0.486847 -0.842448
C 0.082593 -0.008476 -0.605075
C -1.218292 -0.069526 -0.090292
C -1.877774 -1.317828 0.245816
C -1.360941 2.253722 -0.164618
C -1.452679 -2.615797 0.128248
C -2.430018 -3.568345 0.582749
C -3.580001 -2.987731 1.037342
C -3.830091 3.196237 0.766702
H 4.084156 1.164674 0.127425
H 2.822193 0.004120 0.584661
H 2.428904 -0.545282 -1.887080
H 3.618722 0.696806 -2.344973
H 2.181564 2.442174 -1.579581
H 5.327808 -2.538063 0.793460
H 3.689401 -2.056024 1.260784
H 5.087008 -1.070031 1.777805
H 6.479723 -1.376325 -1.030575
H 6.406830 0.181568 -0.164660
H 5.729705 0.026477 -1.808418
H 0.657239 -0.909736 -0.783655
H -0.491250 -2.920373 -0.262625
H -2.243779 -4.633153 0.553932
H -4.456912 -3.476113 1.427691
H -4.358518 2.538620 0.062420
H -4.444041 4.084336 0.957359
H -3.709708 2.634161 1.702971


%chk=000188795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188795

0 1
S -3.562525 -1.278637 0.829249
S -2.396759 3.855977 0.031143
N 4.443445 -1.046948 -0.281700
N 1.924996 1.662707 -1.181730
N -0.140926 2.544377 -0.579395
N -2.003763 1.141110 0.120726
C 3.634196 0.176520 -0.089188
C 2.946028 0.635104 -1.403266
C 0.642305 1.423857 -0.739264
C 4.787714 -1.694376 1.002833
C 5.641531 -0.829941 -1.120596
C 0.133299 0.116515 -0.467708
C -1.210340 0.020907 -0.039688
C -1.841360 -1.263304 0.264078
C -1.415325 2.333448 -0.159429
C -1.330430 -2.559137 0.195215
C -2.269606 -3.576735 0.580534
C -3.507263 -3.063682 0.947074
C -4.038391 3.136745 0.599589
H 4.233522 1.027417 0.327654
H 2.844291 -0.050746 0.650536
H 2.499508 -0.252350 -1.890206
H 3.688587 1.048653 -2.107714
H 2.148024 2.649353 -1.325548
H 5.304512 -2.651037 0.807340
H 3.865420 -1.913462 1.569672
H 5.452620 -1.070131 1.651737
H 6.177563 -1.787029 -1.247791
H 6.356413 -0.088349 -0.680121
H 5.353550 -0.475490 -2.125064
H 0.752745 -0.773518 -0.586952
H -0.309574 -2.783092 -0.124814
H -2.037181 -4.644290 0.584486
H -4.394659 -3.601076 1.277985
H -4.432766 2.455427 -0.166794
H -4.704282 4.003418 0.737905
H -3.900420 2.591294 1.543211


