%chk=000291998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291998

0 1
S 4.844130 0.178645 -0.084013
O 0.507166 -2.943087 0.354349
O 5.147794 0.171562 1.578765
O 5.282636 -1.126712 -0.505672
O 5.465136 1.369057 -0.600105
N -1.027091 0.822966 -0.096240
C 0.364789 0.661553 -0.092189
C 0.922085 -0.630892 0.053475
C -1.888636 -0.293011 0.045006
C 2.319499 -0.775023 0.051024
C 3.144414 0.338326 -0.090224
C 0.050713 -1.825572 0.213485
C 1.205234 1.798328 -0.237465
C -1.391606 -1.542400 0.190435
C -3.335761 0.030284 0.023062
C 2.576770 1.624160 -0.232800
C -4.104071 -0.162698 1.180586
C -3.933375 0.509903 -1.152113
C -5.469712 0.133195 1.161103
C -5.299847 0.800803 -1.163563
C -6.067169 0.615100 -0.008323
H -1.431976 1.754519 -0.186049
H 2.739193 -1.789684 0.157472
H 0.777694 2.791730 -0.349211
H -2.044403 -2.411189 0.291659
H 3.238588 2.494760 -0.347627
H -3.637230 -0.545665 2.089102
H -3.339256 0.640068 -2.056483
H -6.069891 -0.015943 2.058832
H -5.769077 1.168534 -2.076006
H -7.133299 0.842607 -0.020919
H 5.910159 -0.349423 1.869246


%chk=000291998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291998

0 1
S 4.969215 0.081923 -0.146485
O 0.499443 -2.967545 0.807593
O 5.207122 0.444499 1.661998
O 5.391818 -1.454189 -0.419433
O 5.631339 1.284285 -1.005060
N -1.029491 0.764957 -0.166189
C 0.358071 0.612965 -0.159605
C 0.911406 -0.664572 0.165381
C -1.909314 -0.282382 0.125404
C 2.318367 -0.824107 0.177683
C 3.111175 0.278969 -0.133920
C 0.024841 -1.821854 0.502883
C 1.204016 1.716909 -0.469049
C -1.406678 -1.534921 0.445604
C -3.359731 0.037355 0.057579
C 2.595043 1.554499 -0.454612
C -4.269567 -0.575411 0.960796
C -3.863044 0.958278 -0.903134
C -5.645833 -0.274600 0.904773
C -5.240838 1.259493 -0.955419
C -6.137199 0.646108 -0.050557
H -1.419704 1.696098 -0.323346
H 2.730944 -1.809574 0.421435
H 0.770515 2.692312 -0.717348
H -2.092059 -2.365193 0.630395
H 3.272473 2.378302 -0.699051
H -3.891740 -1.266566 1.721633
H -3.192492 1.401115 -1.650489
H -6.333607 -0.750463 1.611739
H -5.615538 1.959855 -1.709490
H -7.206283 0.880151 -0.091044
H 6.170933 0.278107 1.877933


