%chk=000257979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257979

0 1
S 1.049150 1.976077 0.413294
O 0.132957 2.068889 1.524307
O 1.941065 3.074104 0.104150
O -3.885882 -2.252342 0.855668
O -2.137138 -1.594344 1.944627
N 0.085656 1.791989 -1.036106
N -2.844233 -1.624985 0.949210
C 1.920134 0.503019 0.497274
C -0.944315 0.840839 -1.185855
C 0.295361 2.779023 -2.124197
C 3.103121 0.347759 -0.237435
C 1.472815 -0.541766 1.318888
C -1.448563 0.157468 -0.056365
C -1.466203 0.518337 -2.465430
C 3.371897 -1.895338 0.646699
C 3.825196 -0.842098 -0.168181
C 2.189731 -1.733844 1.391977
C -2.384623 -0.859847 -0.243458
C -2.428975 -0.476916 -2.608311
C -2.896094 -1.192765 -1.500029
C 4.135486 -3.172298 0.734101
H -0.647691 3.281656 -2.400537
H 0.720111 2.297698 -3.021298
H 1.004897 3.570509 -1.802461
H 3.471221 1.167927 -0.863821
H 0.555753 -0.426025 1.914238
H -1.157842 0.431555 0.969494
H -1.111798 1.043288 -3.350996
H 4.743598 -0.953328 -0.741956
H 1.832022 -2.541383 2.030920
H -2.822316 -0.709043 -3.599925
H -3.643161 -1.981158 -1.607292
H 3.491588 -4.044861 0.544055
H 4.969045 -3.228158 0.020980
H 4.564731 -3.308639 1.739768


%chk=000257979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257979

0 1
S 1.029002 1.831379 0.098110
O -0.128730 1.939374 1.241194
O 2.023399 3.080804 -0.240527
O -3.647953 -2.906294 0.210643
O -1.446991 -2.688876 0.760708
N 0.198751 1.353395 -1.721961
N -2.514490 -2.293628 0.148156
C 2.090365 0.332627 0.501657
C -1.084693 0.767788 -1.568160
C 0.338036 2.546497 -2.583376
C 3.334976 0.202660 -0.132714
C 1.604077 -0.577450 1.455507
C -1.186925 -0.430844 -0.807865
C -2.261193 1.275882 -2.197507
C 3.679402 -1.877383 1.152336
C 4.126258 -0.918068 0.205506
C 2.414417 -1.687683 1.771551
C -2.434420 -1.057308 -0.673578
C -3.494656 0.600533 -2.070540
C -3.607557 -0.570489 -1.295333
C 4.535300 -3.077654 1.510294
H -0.409809 3.344569 -2.399669
H 0.267433 2.208987 -3.634139
H 1.339210 2.979294 -2.421252
H 3.682929 0.953485 -0.848490
H 0.637382 -0.415835 1.942706
H -0.307658 -0.885478 -0.347417
H -2.213024 2.188330 -2.797979
H 5.103256 -1.045673 -0.273589
H 2.053327 -2.416700 2.505503
H -4.380504 1.003335 -2.572197
H -4.554134 -1.100097 -1.166757
H 3.971555 -4.020278 1.386568
H 5.439718 -3.136837 0.882020
H 4.860643 -3.031365 2.566587


