%chk=000285402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285402

0 1
S 6.161549 0.090987 0.887113
O 0.220813 0.575988 -2.471110
N 0.290079 0.324307 -0.152914
N -1.777828 0.540848 -1.440468
N -2.326389 0.306864 0.879305
C 1.707092 0.258039 0.028558
C -5.072356 0.487644 0.246374
C -2.744413 0.467051 -0.417549
C 2.162733 0.075361 1.353917
C 2.622501 0.366468 -1.033118
C -4.115677 0.560871 -0.768134
C 4.437266 0.108144 0.542896
C 3.532335 -0.000322 1.602573
C 3.990462 0.293095 -0.767387
C -0.338832 0.481499 -1.389246
C -4.646447 0.323289 1.581290
C -6.526882 0.581032 -0.063145
C -3.280260 0.238694 1.848670
C 6.623414 -1.618198 0.506976
H 1.457548 -0.005910 2.178109
H 2.270567 0.510157 -2.060946
H -4.417205 0.687541 -1.803351
H -0.293084 0.251198 0.706683
H -2.133619 0.659384 -2.402382
H 3.890111 -0.141350 2.624565
H 4.703572 0.384695 -1.589579
H -5.371481 0.264000 2.387288
H -6.734591 0.699227 -1.135523
H -7.065666 -0.319430 0.270753
H -6.990043 1.438505 0.449727
H -2.900914 0.110903 2.870780
H 6.430726 -1.866816 -0.541574
H 6.089220 -2.332927 1.141087
H 7.699398 -1.720836 0.696562


%chk=000285402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285402

0 1
S 6.153191 0.087120 1.098816
O 0.215993 0.672872 -2.746284
N 0.240499 0.373494 -0.387834
N -1.787003 0.586290 -1.583127
N -2.168002 0.302166 0.747367
C 1.627693 0.304419 -0.111774
C -4.984068 0.451226 0.328141
C -2.680588 0.479680 -0.510318
C 2.006118 0.119111 1.247585
C 2.637906 0.416486 -1.107321
C -4.084762 0.557319 -0.749244
C 4.371218 0.148341 0.617550
C 3.365683 0.039890 1.607442
C 3.995706 0.343161 -0.732065
C -0.354040 0.546352 -1.621181
C -4.439347 0.266929 1.633779
C -6.482298 0.529936 0.118100
C -3.045793 0.199575 1.787967
C 6.529334 -1.721471 0.677982
H 1.231473 0.037625 2.019594
H 2.348435 0.566359 -2.149238
H -4.457920 0.699419 -1.769917
H -0.452191 0.292869 0.402442
H -2.180548 0.718625 -2.517153
H 3.650969 -0.102423 2.654830
H 4.772964 0.448712 -1.496775
H -5.093295 0.178383 2.506588
H -6.741458 0.664850 -0.945218
H -6.979858 -0.389935 0.477142
H -6.915761 1.374561 0.685113
H -2.593549 0.058651 2.775177
H 6.328602 -1.907364 -0.388192
H 5.919051 -2.388911 1.305346
H 7.599344 -1.874314 0.891481


