%chk=000260833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260833

0 1
S -4.783595 0.270939 1.180730
O 3.271279 2.461379 -1.216210
O -5.200344 -0.951553 1.844525
O -4.733681 1.528722 1.900474
N 0.342914 -0.692205 -1.671005
N 1.926632 -2.114013 -0.369220
N 3.690341 -1.026140 0.852043
N 4.397251 1.240726 0.369101
N 5.651081 -0.100199 1.887721
N -5.921821 0.514894 -0.088062
C 1.360884 0.396450 -1.806572
C 1.013403 -2.015790 -1.555801
C 2.484722 0.245889 -0.819821
C 2.679931 -0.920917 -0.134953
C -0.836283 -0.457788 -0.917076
C -1.259422 0.860726 -0.621753
C -1.663650 -1.545312 -0.540545
C 3.373221 1.411181 -0.627113
C -3.292798 -0.001019 0.380850
C -2.473622 1.077110 0.017104
C -2.877537 -1.307007 0.094074
C 4.558368 0.108418 1.013979
H 0.886002 1.403712 -1.696935
H 1.761272 0.357616 -2.849344
H 1.641933 -2.161468 -2.473789
H 0.267979 -2.845918 -1.512709
H 1.473484 -2.494196 0.469620
H -0.631789 1.712413 -0.895040
H -1.371508 -2.568494 -0.766455
H 3.947052 -1.943774 1.217633
H -2.784995 2.103023 0.250859
H -3.510686 -2.155627 0.383598
H 6.240931 0.726780 2.013241
H 5.450572 -0.555737 2.770351
H -6.640985 -0.190649 -0.228009
H -6.339535 1.437525 -0.184890


%chk=000260833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260833

0 1
S -4.746898 0.252925 1.297794
O 3.240562 2.418981 -1.513086
O -5.282684 -1.163546 1.900691
O -4.502772 1.572208 2.225112
N 0.405445 -0.840785 -1.767650
N 1.943973 -2.098756 -0.324408
N 3.612554 -0.879702 0.884461
N 4.262506 1.376859 0.334620
N 5.272344 0.262099 2.130199
N -5.978283 0.669251 -0.015558
C 1.411988 0.223947 -2.017826
C 1.099753 -2.128682 -1.552675
C 2.495586 0.211561 -0.950869
C 2.658480 -0.900190 -0.146116
C -0.777885 -0.564932 -1.038739
C -1.018737 0.705553 -0.431774
C -1.785581 -1.574693 -0.922718
C 3.349212 1.399921 -0.761022
C -3.176553 -0.062736 0.343841
C -2.220432 0.961280 0.255732
C -2.983233 -1.331135 -0.231133
C 4.365843 0.292509 1.085924
H 0.941979 1.217390 -2.072918
H 1.853999 0.053092 -3.018990
H 1.760117 -2.304312 -2.418642
H 0.397350 -2.968506 -1.468700
H 1.534191 -2.523010 0.515073
H -0.259911 1.491066 -0.465119
H -1.652751 -2.543514 -1.414338
H 3.885075 -1.763554 1.319392
H -2.394190 1.923174 0.749100
H -3.750960 -2.105561 -0.137959
H 5.833367 1.102295 2.254601
H 5.251808 -0.439663 2.865799
H -6.853043 0.172647 0.226277
H -6.095218 1.696216 -0.047771


