%chk=000249591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249591

0 1
S 0.047406 -3.273743 -0.151938
O 1.367065 1.043833 -1.296010
N -1.207227 -0.937830 0.097090
N 1.255711 -0.878290 0.041030
C -1.352071 0.559153 0.008490
C -0.074299 1.228666 0.576398
C 1.242857 0.613710 0.071145
C 0.029623 -1.467786 -0.530085
C -1.595706 1.020310 -1.439827
C -2.562378 0.932968 0.885210
C 2.457415 1.116701 0.858776
H -0.087256 2.306937 0.321415
H -0.092971 1.169865 1.681822
H -2.043756 -1.395814 -0.291511
H 0.071923 -1.360535 -1.648098
H 1.485373 -1.273847 0.962074
H -1.885835 2.075245 -1.480193
H -0.675101 0.935040 -2.040637
H -2.382153 0.448542 -1.936638
H -2.479179 0.495230 1.887925
H -2.649788 2.017938 0.999481
H -3.503156 0.574427 0.454558
H 3.379611 0.607440 0.549641
H 2.608398 2.188522 0.673918
H 2.350078 0.975904 1.938180
H 2.094836 0.563526 -1.747628
H -0.593318 -3.243813 1.040012


%chk=000249591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249591

0 1
S 0.024565 -3.335715 -0.310533
O 1.455039 1.058022 -1.345611
N -1.187085 -0.913826 0.129656
N 1.243403 -0.862372 0.060713
C -1.361186 0.578964 -0.008928
C -0.068761 1.256799 0.533648
C 1.264684 0.621783 0.056806
C 0.028148 -1.451595 -0.514710
C -1.657730 1.006158 -1.476591
C -2.557343 0.971033 0.888775
C 2.452003 1.096233 0.915404
H -0.072304 2.326496 0.256424
H -0.084506 1.191894 1.638328
H -2.032055 -1.411176 -0.192313
H 0.059298 -1.305140 -1.614369
H 1.466324 -1.260746 0.982105
H -1.862097 2.091795 -1.527485
H -0.797775 0.806051 -2.135950
H -2.550090 0.473586 -1.858513
H -2.396913 0.617350 1.922296
H -2.690565 2.068241 0.902486
H -3.496691 0.522896 0.510919
H 3.393040 0.653317 0.542220
H 2.533467 2.194406 0.856207
H 2.328935 0.812352 1.977289
H 2.203342 0.511392 -1.704129
H -0.431045 -3.275901 1.000454


