%chk=000246530.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246530

0 1
S 1.339772 1.320972 -1.598807
O -0.897553 0.463547 -0.498577
O 2.184562 -1.987788 1.471822
N 3.582737 0.366716 -0.961073
N 3.100746 1.225583 -1.725555
N 4.369558 -1.696011 0.921435
C 0.072403 -0.381189 0.191807
C 1.343002 0.072611 -0.401157
C -2.237214 0.308813 -0.184707
C 2.636168 -0.339608 -0.165874
C -2.744829 -0.599337 0.748639
C -3.065792 1.180564 -0.918136
C -4.131110 -0.629402 0.948636
C -4.438581 1.125590 -0.695928
C 3.024436 -1.398276 0.802115
C -4.975063 0.223284 0.235358
H -0.139250 -1.452256 -0.017339
H 0.022408 -0.200084 1.287464
H -2.103478 -1.269072 1.311520
H -2.626921 1.870556 -1.633838
H -4.549518 -1.330055 1.672007
H -5.102220 1.789585 -1.250598
H -6.049476 0.190640 0.399300
H 5.084524 -1.228979 0.384730
H 4.668989 -2.409304 1.569056


%chk=000246530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246530

0 1
S 1.602135 1.471374 -1.778520
O -0.914157 0.620002 -0.642140
O 1.881983 -1.927375 1.454545
N 3.772099 0.216573 -0.850762
N 3.585365 1.138906 -1.716319
N 4.178882 -1.790590 1.039999
C 0.113801 -0.192338 0.008224
C 1.442767 0.218452 -0.554108
C -2.253860 0.391401 -0.258271
C 2.678404 -0.336623 -0.177296
C -2.650743 -0.567202 0.704992
C -3.211355 1.201025 -0.913990
C -4.026564 -0.705673 1.004534
C -4.576690 1.048530 -0.602527
C 2.869442 -1.413581 0.836557
C -4.993081 0.094595 0.358289
H -0.052471 -1.274252 -0.170711
H 0.108937 -0.047845 1.107892
H -1.921482 -1.199848 1.219630
H -2.869680 1.931777 -1.653040
H -4.337034 -1.446701 1.749377
H -5.317058 1.675599 -1.111097
H -6.054989 -0.021231 0.597651
H 4.935392 -1.346112 0.519003
H 4.378257 -2.521764 1.720384


