%chk=000140042.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000140042 0 1 S -1.044100 -0.8456000 -2.4999999E-03 O -1.303900 -1.525600 -1.261100 O -1.282800 -1.540100 1.252600 C 0.6617000 -0.3681000 -1.2000001E-03 C -1.845800 0.6740000 2.7000001E-03 C 1.309400 -0.1909000 1.207100 C 1.308400 -0.1834000 -1.208700 C 3.323900 0.3765000 1.9999999E-04 C -3.187100 0.7515000 3.1999999E-03 C 2.652700 0.1850000 1.207900 C 2.651800 0.1923000 -1.208200 C -3.854900 2.102400 7.3000002E-03 C -4.149800 -0.4048000 0.000000 C 4.760500 0.7768000 7.9999998E-04 H -1.245200 1.578100 5.2999998E-03 H 0.8024000 -0.3279000 2.157100 H 0.8003000 -0.3153000 -2.158900 H 3.165600 0.3251000 2.155800 H 3.164100 0.3381000 -2.155500 H -4.485500 2.216000 -0.8807000 H -3.132900 2.926000 8.6000003E-03 H -4.483600 2.211600 0.8972000 H -4.795900 -0.3532000 0.8830000 H -3.677600 -1.388400 6.2000002E-03 H -4.785100 -0.3574000 -0.8910000 H 5.002800 1.378100 0.8837000 H 5.398300 -0.1127000 -3.8000001E-03 H 5.001300 1.386000 -0.8771000 %chk=000140042-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000140042 0 1 S -1.069988 -0.906645 -0.001336 O -1.346303 -1.675671 -1.420695 O -1.344946 -1.684474 1.413498 C 0.747346 -0.340444 -0.000742 C -1.989039 0.744618 0.004633 C 1.389875 -0.177624 1.235303 C 1.388463 -0.171124 -1.236651 C 3.445698 0.400790 -0.000268 C -3.342026 0.808598 0.004177 C 2.750728 0.201602 1.222378 C 2.749289 0.208118 -1.223162 C -4.023284 2.166524 0.008740 C -4.252505 -0.400771 -0.001321 C 4.917230 0.771241 -0.000226 H -1.293295 1.588861 0.008022 H 0.848868 -0.366414 2.168430 H 0.846415 -0.355234 -2.170087 H 3.280862 0.337280 2.172028 H 3.278344 0.348917 -2.172680 H -4.675409 2.268434 -0.879529 H -3.304297 3.001811 0.010421 H -4.673638 2.263340 0.898843 H -4.915082 -0.375021 0.884212 H -3.708359 -1.356467 0.003445 H -4.902052 -0.376702 -0.896565 H 5.189384 1.354984 0.895721 H 5.549386 -0.137636 -0.005186 H 5.187337 1.363209 -0.891400