%chk=000272502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272502

0 1
S -1.322704 1.866069 0.301451
O -1.598360 2.806083 -0.779619
O -1.372225 2.318607 1.684989
O 4.578562 -1.423813 1.257987
N 4.054572 -0.454786 -0.771521
C 0.241057 1.177615 0.009853
C -2.411863 0.525045 0.138792
C 0.942073 0.549235 1.044091
C 0.821790 1.281560 -1.258365
C -2.770783 -0.225881 1.262013
C -2.956954 0.211572 -1.109533
C -4.180015 -1.635476 -0.120756
C 2.772312 0.085018 -0.464251
C 2.199557 -0.006202 0.817896
C 2.078457 0.737836 -1.510444
C -3.645507 -1.305707 1.136962
C -3.832756 -0.866268 -1.245060
C -5.127519 -2.780397 -0.257176
C 4.898707 -1.178303 0.116179
C 6.199378 -1.597732 -0.506400
H 0.508360 0.498850 2.049581
H 0.288142 1.805541 -2.061491
H -2.374820 0.040492 2.248553
H -2.707243 0.820937 -1.984947
H 2.738027 -0.501775 1.633632
H 2.515136 0.826825 -2.501092
H -3.919671 -1.886071 2.015369
H -4.253163 -1.104425 -2.219588
H -5.082986 -3.248539 -1.250041
H -4.938934 -3.573008 0.480051
H -6.165547 -2.443025 -0.107228
H 4.386493 -0.292349 -1.725929
H 6.062973 -2.262165 -1.370223
H 6.802068 -2.157038 0.231341
H 6.810189 -0.742523 -0.826979


%chk=000272502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272502

0 1
S -1.317565 1.825256 0.317279
O -1.591955 2.855652 -0.929567
O -1.357189 2.277410 1.891852
O 4.957846 -1.248254 1.368680
N 4.238784 -0.458112 -0.723855
C 0.388238 1.070951 0.012457
C -2.558792 0.405790 0.125835
C 1.103390 0.553814 1.103128
C 0.911040 1.123216 -1.289695
C -2.900626 -0.338783 1.264976
C -3.136061 0.196211 -1.135585
C -4.451615 -1.641576 -0.144881
C 2.945200 0.045822 -0.425607
C 2.394115 0.028412 0.887005
C 2.199258 0.600803 -1.504742
C -3.850946 -1.372994 1.114097
C -4.084686 -0.843005 -1.260917
C -5.496361 -2.733844 -0.285695
C 5.169246 -1.059067 0.137671
C 6.470189 -1.463566 -0.554496
H 0.672012 0.587265 2.109131
H 0.334966 1.586579 -2.097109
H -2.457349 -0.098940 2.237168
H -2.868725 0.841800 -1.978879
H 2.981309 -0.383603 1.708861
H 2.633057 0.631166 -2.512192
H -4.134552 -1.973520 1.986197
H -4.550485 -1.031104 -2.235247
H -5.503216 -3.160644 -1.303567
H -5.323851 -3.555706 0.430664
H -6.510303 -2.334501 -0.089622
H 4.530095 -0.365540 -1.700342
H 6.284381 -2.175677 -1.379833
H 7.125393 -1.943598 0.185897
H 6.992559 -0.582311 -0.970972


