%chk=000194055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194055

0 1
S 2.928935 -1.570756 -0.039898
S 4.500272 -0.289426 0.133764
O -2.811551 -0.108871 2.017586
O -5.019257 -3.038806 -2.290748
O -5.611888 -2.360018 -0.326937
N 0.398667 -0.066193 -0.847655
N -1.634751 0.069753 1.361776
N -3.713496 -0.836936 1.259967
N -4.806486 -2.453516 -1.231913
N 2.607588 1.522865 0.694700
C -0.816828 -0.673442 -0.947228
C -1.744293 -0.535842 0.172219
C 1.447332 -0.164978 -1.887207
C -3.113049 -1.134199 0.099163
C -1.275481 -1.387017 -2.063206
C -3.490433 -1.841669 -1.085598
C -2.565118 -1.941522 -2.120325
C 2.295252 -1.420880 -1.721474
C 3.928138 1.243457 0.773975
C 4.882433 2.108566 1.333709
C 4.428778 3.327788 1.842811
C 3.064092 3.638561 1.784433
C 2.183473 2.713282 1.205918
H 0.989024 -0.140609 -2.905282
H 2.082414 0.754791 -1.809013
H 0.708108 0.345954 0.049032
H -0.624550 -1.523556 -2.923814
H -2.859859 -2.488004 -3.031886
H 1.695943 -2.343676 -1.896026
H 3.112899 -1.444149 -2.469567
H 5.937304 1.840131 1.378460
H 5.133514 4.031939 2.288382
H 2.691070 4.579686 2.184224
H 1.106003 2.908790 1.141756


%chk=000194055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194055

0 1
S 3.410299 -1.712853 -0.363095
S 4.577527 0.232594 -0.555317
O -2.346531 0.790353 1.710196
O -5.049393 -2.974034 -1.704457
O -5.419944 -1.747604 0.196586
N 0.695093 -0.097293 -1.199733
N -1.152974 0.716114 0.920449
N -3.400940 -0.079728 1.191697
N -4.669512 -2.134237 -0.786325
N 2.316348 1.416136 0.595962
C -0.569781 -0.600254 -1.130071
C -1.450508 -0.173550 -0.052008
C 1.651445 -0.429792 -2.256760
C -2.819222 -0.658994 0.098884
C -1.143329 -1.517454 -2.052373
C -3.323427 -1.594879 -0.865042
C -2.471995 -1.988073 -1.911976
C 2.449665 -1.722943 -2.000018
C 3.674048 1.375022 0.583431
C 4.479161 2.216167 1.390590
C 3.836933 3.153759 2.228168
C 2.424133 3.192470 2.262291
C 1.701442 2.299319 1.443601
H 1.138389 -0.508630 -3.233713
H 2.366954 0.410220 -2.329706
H 1.116896 0.471522 -0.417467
H -0.550935 -1.886617 -2.893305
H -2.877948 -2.699928 -2.637715
H 1.786389 -2.600804 -1.886296
H 3.160098 -1.908189 -2.822113
H 5.568053 2.119864 1.371033
H 4.431504 3.821243 2.859994
H 1.887800 3.886667 2.914931
H 0.608460 2.255903 1.453775


