%chk=000290024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290024

0 1
S 0.102000 -1.128129 1.596354
O -0.219340 1.659430 2.468343
C 1.814084 0.279067 0.073538
C 1.074120 1.437177 0.468124
C -1.927252 -0.129519 0.115212
C 1.450778 -1.043090 0.476674
C -1.436384 1.165038 0.471174
C 2.965184 0.443254 -0.742804
C -1.289399 -1.336265 0.534547
C -0.183354 1.345014 1.301561
C 2.162509 -2.154843 0.086187
C -3.103886 -0.235869 -0.674528
C 3.697525 -0.718794 -1.150901
C 1.498166 2.692259 0.088547
C 3.310274 -1.971670 -0.756091
C 3.371160 1.755547 -1.133231
C -2.110866 2.294076 0.064100
C -1.771295 -2.572992 0.201723
C -3.773958 0.955914 -1.093171
C 2.656745 2.853630 -0.720321
C -3.594116 -1.535536 -1.024793
C -3.289247 2.187306 -0.728065
C 1.786286 -3.539926 0.486952
C -2.948254 -2.669615 -0.599169
H 4.574926 -0.582381 -1.784792
H 0.954254 3.583649 0.405150
H 3.869516 -2.851389 -1.071694
H 4.256931 1.867369 -1.757773
H -1.759252 3.287609 0.344999
H -1.283385 -3.488040 0.537641
H -4.674150 0.865980 -1.700035
H 2.962766 3.859984 -1.002452
H -4.495102 -1.603479 -1.634719
H -3.796393 3.101693 -1.034377
H 1.389930 -3.587756 1.514492
H 1.005992 -3.940042 -0.178771
H 2.634921 -4.236261 0.446115
H -3.322135 -3.658500 -0.860649


%chk=000290024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290024

0 1
S 0.158784 -1.228825 1.750744
O -0.417571 2.206706 2.287236
C 1.840836 0.332935 0.098807
C 1.151506 1.499427 0.587821
C -1.925447 -0.196564 0.129698
C 1.458984 -1.011116 0.440934
C -1.420731 1.128006 0.378278
C 3.014644 0.520257 -0.734582
C -1.347203 -1.385090 0.694491
C -0.216801 1.508942 1.248595
C 2.121634 -2.136267 -0.083411
C -3.117279 -0.356186 -0.689222
C 3.677569 -0.630588 -1.267074
C 1.702057 2.773316 0.366527
C 3.230819 -1.914907 -0.968152
C 3.509778 1.841485 -0.981927
C -2.094103 2.232857 -0.170595
C -1.921667 -2.643288 0.507680
C -3.744368 0.798162 -1.258351
C 2.883203 2.949673 -0.411852
C -3.670186 -1.664301 -0.890069
C -3.241067 2.073294 -1.001412
C 1.714576 -3.559595 0.242078
C -3.095202 -2.786665 -0.295492
H 4.558288 -0.485680 -1.903648
H 1.188224 3.644138 0.786773
H 3.747111 -2.787587 -1.383924
H 4.399690 1.963010 -1.610562
H -1.726292 3.240486 0.049770
H -1.468368 -3.519970 0.980537
H -4.635005 0.663455 -1.883109
H 3.277005 3.958158 -0.575310
H -4.569665 -1.763501 -1.509026
H -3.726788 2.958823 -1.424389
H 1.448528 -3.670531 1.307414
H 0.823056 -3.854843 -0.344593
H 2.525155 -4.267845 0.000511
H -3.533406 -3.779876 -0.438095


