%chk=000231091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231091

0 1
S 4.031899 -0.109119 0.224678
O 4.432129 0.269025 -1.359831
O 4.338761 -1.503279 0.407591
O 4.662618 0.913902 1.000312
N 1.483925 -1.147182 0.267285
N 1.588911 1.112557 0.050383
C 0.174542 -0.689357 0.189390
C 0.258591 0.728847 0.055165
C -0.979277 -1.585107 0.222881
C 2.315812 -0.026439 0.182393
C -0.834932 1.695576 -0.058937
C -1.966429 -1.477586 -0.771074
C -1.105051 -2.547670 1.238201
C -2.032619 1.498469 0.649071
C -0.683444 2.831613 -0.872600
C -3.068471 -2.335273 -0.749330
C -2.211229 -3.400886 1.251185
C -3.071179 2.424793 0.531407
C -1.727549 3.752714 -0.984033
C -3.191381 -3.297653 0.258545
C -2.922258 3.550410 -0.285630
H 1.792627 -2.107400 0.352197
H -1.871175 -0.721869 -1.552595
H -0.352938 -2.622374 2.022032
H -2.149786 0.627882 1.293692
H 0.254093 2.994254 -1.406655
H -3.834174 -2.252814 -1.520632
H -2.310565 -4.147302 2.038968
H -3.998134 2.270891 1.081579
H -1.607499 4.632651 -1.614441
H -4.051918 -3.965785 0.271461
H -3.733680 4.270514 -0.374142
H 4.978882 1.066398 -1.476815


%chk=000231091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231091

0 1
S 4.028516 -0.098830 0.247218
O 4.341179 0.122672 -1.566358
O 4.252571 -1.657122 0.653574
O 4.795588 1.084643 1.031583
N 1.415190 -1.044103 0.334047
N 1.499796 1.190808 -0.012719
C 0.081824 -0.627372 0.224576
C 0.150484 0.782992 0.022551
C -1.015473 -1.611787 0.266909
C 2.199453 0.080876 0.182735
C -0.920244 1.792243 -0.096285
C -2.100460 -1.527118 -0.648222
C -0.976259 -2.694801 1.189135
C -2.206184 1.606345 0.481028
C -0.640925 3.011722 -0.772060
C -3.121952 -2.498815 -0.634477
C -1.997958 -3.668374 1.195760
C -3.193763 2.607013 0.362220
C -1.630555 4.008987 -0.889185
C -3.075297 -3.573854 0.284875
C -2.913776 3.810155 -0.327033
H 1.768496 -1.997634 0.447850
H -2.132135 -0.708117 -1.373865
H -0.163740 -2.758565 1.923312
H -2.430353 0.691708 1.038962
H 0.359290 3.163567 -1.189756
H -3.949473 -2.422892 -1.347970
H -1.957060 -4.493091 1.915291
H -4.178155 2.452010 0.817723
H -1.400752 4.942111 -1.415180
H -3.868922 -4.328640 0.290835
H -3.682371 4.585772 -0.416711
H 5.272522 0.480891 -1.658665


