%chk=000198109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198109

0 1
S 1.548992 -0.443370 -1.775309
P 1.626789 -0.089327 0.089285
O 1.379308 -1.191513 1.258212
O 3.057213 0.463886 0.670585
O 0.779070 1.348246 0.572754
O -4.341389 0.005449 -0.347925
N -0.812859 -0.168660 0.043164
N -2.038428 -0.563401 -0.190760
C 0.989651 -2.544967 0.849050
C 3.704322 1.539406 -0.088120
C -0.545795 1.134765 0.373215
C 2.211899 -3.334683 0.427516
C 4.963415 1.802319 0.716012
C -1.541430 2.135628 0.488511
C -2.836707 1.729004 0.237838
C -3.048714 0.358056 -0.107211
C -4.585576 -1.381774 -0.732632
H 0.562046 -2.906832 1.807700
H 0.194435 -2.520851 0.077754
H 3.930191 1.183909 -1.112664
H 3.033474 2.418907 -0.112872
H 2.039646 -4.413146 0.530088
H 2.494574 -3.155132 -0.620144
H 3.084771 -3.083214 1.047823
H 5.561509 2.606903 0.275287
H 4.719316 2.079634 1.751514
H 5.589022 0.900674 0.776729
H -1.275601 3.156517 0.759044
H -3.688381 2.407368 0.292066
H -4.044074 -1.615667 -1.655390
H -5.671112 -1.374506 -0.882761
H -4.285978 -2.051928 0.079039


%chk=000198109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198109

0 1
S 2.016075 -0.603505 -1.980251
P 1.920494 -0.149774 0.027979
O 1.764800 -1.363512 1.219373
O 3.263256 0.636831 0.747818
O 0.737758 1.156867 0.458244
O -4.562042 0.106482 -0.338100
N -0.994103 -0.352181 0.005860
N -2.324489 -0.639000 -0.196211
C 1.104507 -2.668873 0.871029
C 3.847240 1.820016 0.043887
C -0.610818 0.925251 0.254348
C 2.145840 -3.690539 0.416803
C 5.134685 2.152593 0.790657
C -1.518782 2.020932 0.330371
C -2.868878 1.737756 0.131240
C -3.224511 0.380154 -0.134964
C -4.917867 -1.302459 -0.625225
H 0.628230 -2.954718 1.823485
H 0.319062 -2.481733 0.118131
H 4.035814 1.551610 -1.013639
H 3.116490 2.648730 0.087189
H 1.657440 -4.674058 0.278841
H 2.600907 -3.393166 -0.543320
H 2.942637 -3.802233 1.172112
H 5.617547 3.033015 0.327526
H 4.922904 2.384401 1.847967
H 5.837852 1.303858 0.751884
H -1.151460 3.028440 0.536211
H -3.643681 2.506834 0.168370
H -4.403404 -1.651751 -1.536204
H -6.008331 -1.282481 -0.763031
H -4.631576 -1.952084 0.219021


