%chk=000218275.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218275

0 1
S -1.473342 -1.618036 -0.046811
O -1.471901 -2.073428 1.324098
O -1.821205 -2.550554 -1.101899
N 0.126204 -1.056655 -0.414956
N 0.280162 0.807145 1.170908
C -2.415019 -0.185818 -0.193909
C -2.171129 0.898952 0.660212
C 0.780580 -0.016372 0.305411
C -1.082360 0.809234 1.705086
C -3.423865 -0.112272 -1.159912
C 2.234203 0.181796 -0.010955
C 0.918397 -1.874339 -1.368823
C -2.948554 2.059466 0.542775
C -4.199376 1.043370 -1.273828
C -3.958568 2.127178 -0.420659
C 2.615468 1.109479 -0.989246
C 3.198922 -0.550743 0.693769
C 3.972313 1.293559 -1.270394
C 4.553106 -0.359170 0.405643
C 4.939742 0.559095 -0.576443
H -1.117426 1.695816 2.389989
H -1.257305 -0.078883 2.375624
H -3.605337 -0.963167 -1.828249
H 1.667869 -2.494416 -0.848004
H 1.444501 -1.230476 -2.094760
H 0.255162 -2.548571 -1.947371
H -2.760465 2.910935 1.196228
H -4.986738 1.101519 -2.023552
H -4.562193 3.032252 -0.509636
H 1.858774 1.688983 -1.516546
H 2.893376 -1.255563 1.466877
H 4.275621 2.014774 -2.027728
H 5.307965 -0.923187 0.951690
H 5.995822 0.706297 -0.797129


%chk=000218275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218275

0 1
S -1.402430 -1.682663 0.305532
O -1.241524 -1.941517 1.900375
O -1.830275 -2.896950 -0.689156
N 0.209256 -0.995913 -0.382517
N 0.340985 1.030825 1.034085
C -2.517634 -0.204937 -0.063987
C -2.192662 1.013071 0.563152
C 0.844671 0.099911 0.264097
C -1.037118 1.146986 1.556757
C -3.573606 -0.402601 -0.961558
C 2.323833 0.206839 -0.017387
C 0.743943 -1.755071 -1.531213
C -3.016920 2.115540 0.224699
C -4.381403 0.717956 -1.269407
C -4.097972 1.969988 -0.676814
C 2.859855 1.446148 -0.446683
C 3.193589 -0.890048 0.209559
C 4.247730 1.581929 -0.666484
C 4.583474 -0.747280 0.005146
C 5.113429 0.485140 -0.443379
H -1.106116 2.143672 2.025226
H -1.172977 0.394766 2.363229
H -3.748252 -1.388648 -1.403782
H 1.467362 -2.535312 -1.237438
H 1.232920 -1.052530 -2.225936
H -0.099694 -2.245416 -2.048904
H -2.806855 3.090285 0.679493
H -5.218542 0.610034 -1.966256
H -4.721824 2.837759 -0.916291
H 2.182114 2.294621 -0.584692
H 2.789215 -1.839056 0.579393
H 4.654438 2.541949 -1.003132
H 5.251181 -1.593448 0.200991
H 6.191211 0.592167 -0.609219


