%chk=000232557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232557

0 1
S 0.498995 2.267221 -0.301567
O 0.496748 2.734166 -1.676343
O 0.696857 3.198971 0.796847
O -4.968013 -1.662438 -1.306469
O 5.139689 -2.491788 -0.880101
O 5.307599 -2.091142 1.239685
N -4.470971 -0.807700 0.779869
N 4.824424 -1.898056 0.136888
C -0.939259 1.365287 -0.006992
C 1.770620 1.053178 -0.176036
C -1.603558 0.727083 -1.062258
C -1.473421 1.301206 1.285897
C 2.171090 0.354098 -1.315046
C 2.378900 0.819957 1.057904
C -3.288688 -0.082193 0.471114
C -2.766257 -0.002175 -0.834900
C -2.635713 0.580646 1.538982
C 3.173945 -0.616869 -1.222317
C 3.383243 -0.146929 1.170106
C 3.762698 -0.859485 0.025226
C -5.261526 -1.562917 -0.136823
C -6.460288 -2.202753 0.498368
H -1.213398 0.807906 -2.084220
H -0.977796 1.832083 2.108479
H 1.717188 0.573008 -2.289443
H 2.086980 1.403903 1.939388
H -3.274788 -0.502791 -1.667962
H -3.035771 0.540188 2.548878
H 3.501429 -1.177881 -2.104360
H 3.872245 -0.346367 2.129640
H -4.773333 -0.771467 1.757641
H -7.158554 -1.468615 0.924380
H -7.026766 -2.771397 -0.261497
H -6.193453 -2.917134 1.289542


%chk=000232557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232557

0 1
S 0.520064 2.235453 -0.295430
O 0.512064 2.727013 -1.855439
O 0.710143 3.242185 0.981951
O -5.271380 -1.639606 -1.371090
O 5.507547 -2.398204 -0.952781
O 5.688905 -1.956897 1.277391
N -4.652476 -0.811297 0.737565
N 5.143693 -1.784904 0.121481
C -1.067626 1.259002 0.003197
C 1.930785 0.957525 -0.159555
C -1.715022 0.671122 -1.094481
C -1.577768 1.216164 1.310891
C 2.342479 0.303334 -1.331703
C 2.541059 0.784338 1.092944
C -3.450243 -0.119930 0.440666
C -2.917088 -0.032942 -0.877286
C -2.778544 0.515423 1.525011
C 3.411554 -0.612073 -1.238381
C 3.610857 -0.129970 1.187763
C 4.017714 -0.815628 0.021416
C -5.495377 -1.521690 -0.134573
C -6.709217 -2.138354 0.555598
H -1.307390 0.782282 -2.104691
H -1.064958 1.739124 2.124567
H 1.859928 0.528441 -2.288124
H 2.205227 1.370342 1.954487
H -3.450418 -0.506971 -1.702451
H -3.201152 0.467154 2.536066
H 3.782571 -1.157123 -2.109874
H 4.131502 -0.313993 2.130827
H -4.941789 -0.789379 1.718803
H -7.340538 -1.363415 1.028439
H -7.308473 -2.668558 -0.197996
H -6.405537 -2.859164 1.337296


