%chk=000275018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275018

0 1
S 4.212186 2.525075 -0.494560
O 2.252868 1.077373 0.168891
O 0.094740 2.374931 -1.280674
O 0.936444 1.289464 1.991171
O 0.187982 0.570545 -2.597936
C 0.038116 0.311911 -0.119547
C -1.422751 0.473278 0.300620
C 0.410836 -1.170187 -0.131382
C 1.052975 0.959043 0.839980
C 0.132894 1.018189 -1.480172
C -1.832978 1.384013 1.279730
C 0.969151 -1.810476 -1.241692
C -2.380272 -0.314537 -0.363936
C 0.190318 -1.896754 1.053888
C -3.190615 1.498753 1.600473
C 1.301369 -3.168619 -1.170126
C -3.731812 -0.193379 -0.041054
C 0.525308 -3.248773 1.119090
C -4.140575 0.713768 0.943897
C 1.082476 -3.889157 0.005415
C 3.372940 1.674303 0.864229
H -1.106592 2.007962 1.808230
H 1.144183 -1.269293 -2.176732
H -2.067190 -1.024562 -1.131871
H -0.247910 -1.402493 1.923653
H -3.502488 2.207260 2.367184
H 1.732570 -3.661504 -2.040899
H -4.469472 -0.806271 -0.557411
H 0.351850 -3.806674 2.038475
H -5.195872 0.806468 1.195351
H 1.342732 -4.945080 0.057470
H 0.156841 2.891582 -2.132131
H 3.957164 0.851168 1.307799
H 3.039345 2.390477 1.638480
H 4.216138 1.500998 -1.378002


%chk=000275018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275018

0 1
S 3.661774 3.260480 0.657849
O 2.310441 0.899082 -0.010894
O 0.176491 2.247457 -1.450715
O 1.020154 1.125367 1.917638
O -0.145655 0.317713 -2.688255
C 0.013189 0.202850 -0.185958
C -1.432348 0.474758 0.312883
C 0.369865 -1.307417 -0.188126
C 1.108716 0.829868 0.712127
C 0.035958 0.864146 -1.582068
C -1.770318 1.616872 1.079189
C 1.091834 -1.932330 -1.233695
C -2.465218 -0.393806 -0.125074
C 0.049155 -2.058770 0.972882
C -3.116485 1.863342 1.428798
C 1.460350 -3.292504 -1.127780
C -3.809835 -0.140899 0.219176
C 0.425020 -3.413904 1.079223
C -4.141089 0.987695 1.003691
C 1.130326 -4.039438 0.025227
C 3.491700 1.394549 0.718454
H -0.992561 2.307522 1.412023
H 1.352835 -1.372433 -2.133972
H -2.215546 -1.266004 -0.738767
H -0.492341 -1.578394 1.795353
H -3.362964 2.743632 2.032697
H 2.007493 -3.766987 -1.950056
H -4.595129 -0.821671 -0.127387
H 0.169129 -3.977946 1.982893
H -5.184200 1.184761 1.275364
H 1.420804 -5.093108 0.103143
H 0.094695 2.676182 -2.344696
H 4.345639 0.911413 0.227850
H 3.419825 1.137568 1.785960
H 3.981197 3.329155 -0.689076


