%chk=000231862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231862

0 1
S -2.050093 2.409697 -0.655721
S 1.783166 -0.755040 -1.655058
O -0.614811 -1.377357 -3.183149
O -1.519712 3.544120 -1.682445
O -3.654690 2.302287 -0.342071
O 0.876726 -1.499569 -0.481695
O 1.220612 0.959635 -1.803409
N -1.226903 0.748214 -1.360883
C -1.857875 -0.407582 -1.285689
C -1.204442 -1.596482 -2.083382
C -3.449040 -2.036912 -0.316371
C -2.611786 -3.180021 -0.768626
C -3.092735 -0.729944 -0.575722
C -1.540120 -2.948887 -1.598974
C -1.143737 2.461787 1.017686
C -4.715302 -2.320830 0.465884
C -2.964379 -4.581774 -0.325894
C 3.344001 -0.349976 -0.660429
C 0.253551 2.403287 1.012668
C -1.939704 2.589019 2.163702
C 4.002417 0.876351 -0.878638
C 3.806657 -1.299583 0.270042
C 0.899505 2.478831 2.273145
C -1.270962 2.663341 3.407423
C 0.143175 2.614095 3.460251
C 5.171672 1.152822 -0.131949
C 4.974522 -1.009247 1.009635
C 5.658816 0.214107 0.806043
H -3.699740 0.094326 -0.191093
H -0.933645 -3.756931 -2.019467
H 0.107801 0.874829 -1.798260
H -5.409324 -2.952070 -0.122496
H -4.502709 -2.874148 1.400510
H -5.239216 -1.389046 0.727375
H -2.267080 -5.320555 -0.753765
H -2.914067 -4.669801 0.776866
H -3.989784 -4.869744 -0.623519
H 0.839427 2.252149 0.097911
H -3.031218 2.631382 2.093105
H 3.587299 1.597462 -1.589513
H 3.256575 -2.231627 0.440083
H 1.991757 2.422149 2.310816
H -1.863349 2.763811 4.322856
H 0.654030 2.675125 4.426487
H 5.694844 2.102421 -0.288513
H 5.347693 -1.732842 1.741369
H 6.565676 0.437017 1.378880


%chk=000231862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231862

0 1
S -2.279957 1.963443 0.559216
S 2.497397 0.055166 1.112058
O 0.326048 -1.868443 -0.568604
O -1.829021 3.014993 -0.586671
O -3.871939 1.700074 0.839078
O 2.989813 1.164255 2.228495
O 1.450048 0.960354 -0.128628
N -1.247226 0.314092 0.096359
C -1.866393 -0.748068 -0.384021
C -0.918990 -1.914956 -0.794044
C -3.816972 -2.060345 -1.193056
C -2.916913 -3.155838 -1.646202
C -3.303769 -0.931095 -0.590555
C -1.555672 -3.060387 -1.448133
C -1.450836 2.318865 2.214528
C -5.309175 -2.193825 -1.404693
C -3.515435 -4.375699 -2.309551
C 3.975323 -0.066161 -0.055858
C -0.071121 2.580023 2.233446
C -2.280773 2.300981 3.348810
C 3.877514 -0.882120 -1.199718
C 5.133628 0.652875 0.277990
C 0.517894 2.820921 3.497573
C -1.671749 2.572639 4.594922
C -0.279699 2.825112 4.666010
C 5.005877 -0.977525 -2.046886
C 6.253356 0.551097 -0.580903
C 6.189234 -0.262821 -1.736581
H -3.970843 -0.129269 -0.257684
H -0.879878 -3.864242 -1.759379
H 0.492848 0.604980 -0.027528
H -5.555391 -2.291180 -2.479568
H -5.709993 -3.096640 -0.905549
H -5.846413 -1.317082 -1.010486
H -2.736625 -5.098074 -2.600348
H -4.228331 -4.888385 -1.636092
H -4.085134 -4.097502 -3.216335
H 0.543974 2.568388 1.327403
H -3.351663 2.092909 3.254004
H 2.946822 -1.412301 -1.429669
H 5.130140 1.279339 1.178539
H 1.600598 2.969165 3.544912
H -2.282474 2.579243 5.504003
H 0.186098 3.015279 5.639134
H 4.959254 -1.600878 -2.947045
H 7.169639 1.105635 -0.349145
H 7.060382 -0.338698 -2.397543


