%chk=000116015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116015

0 1
S -1.783477 1.171328 -1.087748
S 1.825943 0.365298 2.095583
S -0.903397 3.382725 0.724974
S 0.234665 2.891154 2.288810
O -0.345867 1.003914 -1.219136
O -2.503628 1.755708 -2.201570
O 2.490908 0.149187 3.365156
O 0.497910 -0.197563 1.918023
N -2.023335 2.191972 0.285518
N 1.656482 2.070638 1.875903
N -4.481000 -3.831614 0.476060
N 5.506530 -1.182904 -2.240965
C -2.567080 -0.262597 -0.609447
C 2.887607 -0.055000 0.832697
C -3.756320 -0.653149 -1.248704
C 4.197158 -0.468526 1.131979
C -2.026577 -1.076352 0.401821
C 2.463896 -0.017812 -0.507521
C -3.862716 -2.635039 0.136451
C 4.648301 -0.782556 -1.225076
C -4.413197 -1.818998 -0.888301
C 5.082415 -0.825483 0.127276
C -2.661742 -2.249045 0.783119
C 3.327723 -0.369876 -1.534044
H -4.171697 -0.022724 -2.047059
H 4.523783 -0.508674 2.180345
H -1.086516 -0.783760 0.908695
H 1.432536 0.299295 -0.756495
H -5.329039 -2.110853 -1.391773
H 6.089808 -1.145953 0.371955
H -2.230070 -2.865322 1.567638
H 2.983384 -0.334067 -2.564449
H -2.862529 2.105239 0.865461
H 2.424303 2.631319 1.496315
H -5.398221 -4.048894 0.129833
H -4.180702 -4.347634 1.284459
H 6.479567 -1.345535 -2.053951
H 5.260391 -1.033546 -3.203731


%chk=000116015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116015

0 1
S -1.680672 0.730168 -1.753592
S 1.905428 -0.420839 2.244905
S -0.279694 2.970294 0.070764
S -0.182146 2.011832 2.395066
O -0.122319 0.281742 -1.787206
O -2.499254 1.142486 -3.098297
O 2.731253 -0.896587 3.563781
O 0.514776 -1.121491 1.791635
N -1.654950 2.319014 -0.670190
N 1.380662 1.394197 2.598316
N -5.050081 -3.304591 1.235940
N 5.839941 -0.145520 -2.340503
C -2.705937 -0.510555 -0.815755
C 3.101775 -0.333548 0.819130
C -4.019563 -0.743424 -1.268502
C 4.472815 -0.473659 1.111900
C -2.141253 -1.169182 0.293922
C 2.605332 -0.135418 -0.484245
C -4.275461 -2.376090 0.554051
C 4.934515 -0.209149 -1.290133
C -4.803848 -1.683035 -0.579470
C 5.389938 -0.413314 0.049765
C -2.936442 -2.104394 0.975679
C 3.532565 -0.074642 -1.536900
H -4.400758 -0.215714 -2.148672
H 4.801809 -0.645915 2.141766
H -1.115712 -0.978593 0.633028
H 1.534666 -0.032533 -0.698598
H -5.826122 -1.888434 -0.917323
H 6.461325 -0.527171 0.251103
H -2.514269 -2.628491 1.840309
H 3.165076 0.078078 -2.557734
H -2.577127 2.770208 -0.632355
H 2.157329 1.951749 2.974130
H -6.000074 -3.512712 0.941534
H -4.674945 -3.807187 2.035618
H 6.838146 -0.246842 -2.179937
H 5.519477 -0.006438 -3.294830


