%chk=000214104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214104

0 1
S 3.760706 -1.089766 0.473352
O 4.016004 -0.569501 2.057030
O 3.054622 -2.335686 0.629852
O 5.037123 -1.046066 -0.181250
O -4.940182 1.097992 1.096421
O -3.105159 2.328423 0.798269
N -0.905806 1.055018 -0.174641
C 0.508939 1.083922 -0.375365
C -1.725376 -0.065418 -0.313451
C 2.728219 0.169503 -0.094453
C 1.349855 0.063578 0.103245
C 1.061855 2.213568 -1.019344
C -3.084983 0.008225 0.112757
C 3.280837 1.278141 -0.737664
C 2.440937 2.303020 -1.193690
C -1.253338 -1.273439 -0.895779
C -3.910416 -1.133533 -0.015307
C -2.090745 -2.369660 -1.005375
C -3.425975 -2.310552 -0.557517
C -3.637757 1.235045 0.672396
H -1.342809 1.954192 0.117796
H 0.925434 -0.800857 0.629005
H 0.410001 3.011179 -1.381809
H 4.363460 1.350714 -0.891950
H 2.870448 3.174015 -1.691749
H -0.236609 -1.335397 -1.280101
H -4.949380 -1.064066 0.326439
H -1.715961 -3.295585 -1.449062
H -4.065382 -3.185560 -0.645679
H 4.210430 -1.257921 2.709598
H -5.296591 1.950272 1.473025


%chk=000214104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214104

0 1
S 3.885047 -1.156782 0.316737
O 4.053232 -0.705602 2.111566
O 3.094924 -2.566666 0.216229
O 5.326068 -0.974137 -0.395361
O -5.001666 1.289289 0.877496
O -3.035735 2.414254 0.426321
N -0.922209 0.975555 -0.299616
C 0.479130 1.064795 -0.398020
C -1.753333 -0.148950 -0.323215
C 2.741310 0.260455 -0.135805
C 1.367540 0.019094 -0.018545
C 1.036325 2.305867 -0.830595
C -3.141140 -0.002530 0.062124
C 3.325764 1.456179 -0.574809
C 2.428059 2.497413 -0.913206
C -1.313044 -1.434102 -0.761674
C -4.005196 -1.133768 0.040666
C -2.192103 -2.528993 -0.778298
C -3.542591 -2.394255 -0.363039
C -3.671684 1.310530 0.453619
H -1.440374 1.859716 -0.125892
H 1.010724 -0.930722 0.386484
H 0.357377 3.117675 -1.114851
H 4.410228 1.563186 -0.661396
H 2.821767 3.459286 -1.256252
H -0.294625 -1.568690 -1.131276
H -5.045824 -0.989639 0.343043
H -1.821869 -3.498778 -1.128734
H -4.215665 -3.256458 -0.373100
H 4.665841 -1.376360 2.533560
H -5.273877 2.216938 1.110838


