%chk=000185536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185536

0 1
S 2.124192 -0.975295 -0.115442
O -4.318227 1.250415 0.628145
O -7.188805 -1.169300 -1.369955
O -8.571201 0.536423 -0.930893
N -5.499846 -0.698644 0.600106
N 5.337936 -1.722493 -0.474245
N 3.367149 1.354398 0.383970
N 7.125421 -0.299133 -0.224439
N 5.781974 1.743579 0.347054
C -1.803537 0.061403 0.371001
C -0.538157 -0.767168 0.106851
C -3.066215 -0.803380 0.270370
C 0.698410 0.112001 0.220675
C -4.303104 0.041674 0.491330
C 3.518587 0.063225 0.060897
C 4.806061 -0.474423 -0.140620
C 5.947408 0.422315 0.015839
C -6.782886 0.014672 0.666260
C 6.738262 -1.560116 -0.511110
C 4.507169 2.142393 0.513743
C -7.618628 -0.117348 -0.589491
H -1.756123 0.537122 1.372696
H -1.873293 0.907462 -0.345206
H -0.599345 -1.228915 -0.900944
H -0.487319 -1.609858 0.827873
H -3.022288 -1.628606 1.011645
H -3.117997 -1.289843 -0.726340
H 0.688048 0.953536 -0.501137
H 0.801551 0.570100 1.225255
H -5.557195 -1.668427 0.295917
H -6.603076 1.111479 0.866297
H -7.381275 -0.364047 1.533268
H 4.803149 -2.554524 -0.648554
H 7.413943 -2.376066 -0.747168
H 4.327272 3.197491 0.780589
H -7.727017 -1.270600 -2.201838


%chk=000185536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185536

0 1
S 2.566656 0.237196 -1.834135
O -4.530137 0.668158 -1.732700
O -6.243869 -1.210754 2.398344
O -8.239481 -0.160225 1.825985
N -4.920471 -0.423897 0.269504
N 5.458290 -0.997877 -0.571878
N 2.345537 0.459373 0.924006
N 6.097006 -1.170403 1.624089
N 4.022420 -0.197299 2.594658
C -1.629383 0.440297 -1.098067
C -0.216647 -0.164347 -1.274592
C -2.683309 -0.640886 -0.760145
C 0.819002 0.931308 -1.565022
C -4.105279 -0.072520 -0.791286
C 3.126441 0.060095 -0.110674
C 4.396830 -0.488617 0.177049
C 4.809919 -0.601604 1.550515
C -6.306227 0.041735 0.322212
C 6.442332 -1.388806 0.345268
C 2.826120 0.314621 2.208969
C -7.051918 -0.424842 1.557911
H -1.612963 1.202061 -0.293547
H -1.951346 0.956350 -2.022198
H -0.228648 -0.902210 -2.100841
H 0.082847 -0.701896 -0.355124
H -2.459723 -1.109571 0.217749
H -2.630616 -1.442148 -1.524486
H 0.603089 1.481465 -2.496946
H 0.904700 1.635798 -0.721599
H -4.583465 -1.005838 1.038544
H -6.871723 -0.294967 -0.568955
H -6.353211 1.148150 0.289274
H 5.507484 -1.070767 -1.587750
H 7.387319 -1.824899 0.027560
H 2.157231 0.655683 3.004101
H -6.763810 -1.496412 3.196604


