%chk=000205855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205855

0 1
S 1.566182 -0.333410 -1.897891
P 1.258652 -0.567678 -0.045080
O 2.047598 -1.776879 0.721496
O 1.508218 0.593380 1.060914
O -0.309559 -1.173075 0.327650
O -2.097073 1.644195 -0.723923
N -0.905432 0.961714 -0.437387
N -4.420205 1.303700 -0.597731
C 2.012629 -3.093819 0.070175
C 1.887809 1.930266 0.588137
C -1.256663 -0.279968 -0.019831
C 2.849953 -3.944412 1.005129
C 3.375372 1.979793 0.309123
C -2.679345 -0.465082 -0.009223
C -3.162274 0.754528 -0.449365
H 0.962124 -3.438685 0.018054
H 2.458540 -3.020580 -0.941003
H 1.265815 2.244841 -0.273436
H 1.603118 2.523139 1.483175
H 2.894530 -4.986205 0.669424
H 3.877506 -3.561218 1.077986
H 2.440429 -3.928271 2.025862
H 3.752760 3.008520 0.367652
H 3.940696 1.383639 1.040225
H 3.634560 1.602256 -0.690749
H -3.203452 -1.345079 0.295942
H -4.486494 2.170525 -1.118648
H -5.185594 0.661167 -0.760377


%chk=000205855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205855

0 1
S 1.892654 -0.346401 -2.061680
P 1.453238 -0.590868 -0.065397
O 2.089752 -1.936264 0.779290
O 1.894688 0.588088 1.086786
O -0.275309 -0.980682 0.275751
O -2.334699 1.801778 -0.569934
N -0.997784 1.226590 -0.264965
N -4.577084 1.131788 -0.750501
C 1.916769 -3.295473 0.175856
C 2.049399 2.027969 0.671782
C -1.273855 -0.086704 -0.057336
C 2.765095 -4.235164 1.025763
C 3.495452 2.317745 0.274442
C -2.655041 -0.437285 -0.183810
C -3.278894 0.767189 -0.500591
H 0.843389 -3.557001 0.211165
H 2.254514 -3.266569 -0.878207
H 1.322983 2.254723 -0.128300
H 1.750660 2.566135 1.586189
H 2.672665 -5.268705 0.643682
H 3.827272 -3.940432 0.991699
H 2.429734 -4.218399 2.076329
H 3.613122 3.402389 0.088580
H 4.190125 2.027031 1.081092
H 3.769634 1.777675 -0.647714
H -3.091567 -1.422698 -0.062105
H -4.794336 2.097145 -0.984265
H -5.322178 0.443702 -0.717300


