%chk=000211641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211641

0 1
S -0.546409 1.208007 1.920877
S 2.265331 0.987008 2.947890
O 0.025967 -1.154179 -0.614832
O -4.585497 -0.336985 0.469929
O -4.676871 0.314689 -1.695761
N 1.429317 0.412536 0.467598
C 0.269456 0.242688 -0.482789
C -0.997054 0.839265 0.183496
C -2.184027 -0.108787 0.162637
C 0.586657 0.858179 -1.839440
C 1.180879 0.823775 1.750484
C 2.759126 -0.019813 0.061251
C -3.448480 0.540735 0.719141
C 3.115166 -1.370666 0.193139
C 3.651980 0.923777 -0.467856
C 4.383252 -1.778008 -0.228556
C 4.916020 0.496108 -0.882571
C 5.279780 -0.850086 -0.769560
C -5.125277 -0.360605 -0.799350
C -6.272354 -1.307971 -0.814023
H -1.260766 1.806722 -0.311864
H -1.953456 -1.050455 0.710914
H -2.368156 -0.443420 -0.886160
H 0.776343 1.938180 -1.770112
H 1.474904 0.415007 -2.309277
H -0.253086 0.712550 -2.535391
H -3.463408 0.598235 1.824279
H -3.658209 1.528240 0.271164
H 0.745750 -1.615430 -1.098314
H 2.424692 -2.082255 0.647018
H 3.371495 1.974336 -0.532910
H 4.676743 -2.822634 -0.125042
H 5.623660 1.219047 -1.288391
H 6.268035 -1.174516 -1.092851
H -7.202166 -0.790906 -1.100333
H -6.439849 -1.782425 0.166944
H -6.107583 -2.109942 -1.551077


%chk=000211641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211641

0 1
S -0.534341 0.790688 2.194222
S 2.425556 0.948412 3.063524
O 0.141884 -1.564617 -0.176909
O -4.708389 -0.245784 0.414606
O -4.760192 0.613868 -1.754788
N 1.484822 0.341260 0.539162
C 0.318261 -0.105634 -0.287786
C -0.941996 0.551943 0.341543
C -2.237095 -0.244001 0.136170
C 0.488219 0.293952 -1.764128
C 1.261616 0.673311 1.871479
C 2.830066 0.068113 0.065084
C -3.456625 0.523032 0.670655
C 3.378101 -1.228107 0.220054
C 3.575558 1.091812 -0.561124
C 4.672290 -1.501951 -0.276300
C 4.871065 0.813613 -1.049917
C 5.418130 -0.484007 -0.914769
C -5.265996 -0.107618 -0.863163
C -6.531262 -0.926211 -0.992463
H -1.039889 1.570780 -0.075151
H -2.149387 -1.227710 0.623827
H -2.376739 -0.415902 -0.947588
H 0.633793 1.382453 -1.865938
H 1.361111 -0.209798 -2.216669
H -0.414410 0.002075 -2.327015
H -3.432807 0.628523 1.767645
H -3.545378 1.515600 0.191038
H 0.828073 -2.011414 -0.737080
H 2.810889 -1.991027 0.764130
H 3.144515 2.094665 -0.646156
H 5.102561 -2.501478 -0.150686
H 5.453606 1.607610 -1.529374
H 6.424259 -0.696390 -1.292411
H -7.371487 -0.259957 -1.254476
H -6.758361 -1.461302 -0.059662
H -6.418112 -1.648803 -1.819283


