%chk=000109878.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109878 0 1 O 0.4917000 1.110000 -8.7499999E-02 O -2.378400 -2.713500 -0.6354000 N 5.154200 0.6468000 -1.8600000E-02 N -4.268400 1.690000 -0.2394000 N 0.2120000 -1.689600 -0.4778000 C 1.432500 0.2112000 0.4954000 C 1.356000 -1.181800 -0.1339000 C 3.904300 9.7000003E-02 5.9300002E-02 C 2.805100 0.8048000 0.3800000 C -0.7526000 0.5397000 -0.1905000 C -0.9029000 -0.8434000 -0.3558000 C -3.139900 0.8445000 -0.2735000 C -1.860400 1.385800 -0.1650000 C 2.602700 -1.963200 -0.2994000 C 3.775600 -1.328000 -0.1971000 C -2.191200 -1.373300 -0.4679000 C -3.305600 -0.5329000 -0.4203000 C 5.347400 2.033000 -0.4191000 C 6.318000 -3.7000000E-02 0.5266000 C -4.107600 3.122800 -9.1799997E-02 C -5.602700 1.138300 -0.3654000 C 4.814000 2.250300 -1.822200 C 6.151400 -0.2417000 2.020100 C -3.886500 3.476000 1.366500 C -6.145700 0.7672000 1.001200 C -3.146600 -3.388600 0.3580000 C -2.676400 -4.824400 0.4536000 H 1.195800 0.1134000 1.564400 H 2.875300 1.861900 0.6218000 H -1.666900 2.446700 -5.2400000E-02 H 2.537200 -3.017400 -0.5393000 H 4.666800 -1.923300 -0.3626000 H -4.279300 -1.001700 -0.5027000 H 6.411500 2.298200 -0.4269000 H 4.877900 2.723400 0.2909000 H 7.233000 0.5445000 0.3602000 H 6.501500 -0.9925000 2.4100000E-02 H -3.316300 3.525900 -0.7337000 H -5.015000 3.641400 -0.4269000 H -5.672900 0.3085000 -1.075700 H -6.273900 1.894800 -0.7932000 H 5.053300 3.264500 -2.159100 H 3.727800 2.137100 -1.884100 H 5.266200 1.546500 -2.529500 H 7.062900 -0.6775000 2.442300 H 5.325100 -0.9188000 2.257600 H 5.965500 0.7092000 2.531300 H -3.718900 4.553800 1.464700 H -3.024600 2.966200 1.805700 H -4.758800 3.228200 1.977500 H -7.126600 0.2922000 0.8957000 H -6.279200 1.647800 1.635300 H -5.489500 6.7900002E-02 1.528700 H -3.034700 -2.906600 1.337200 H -4.203300 -3.363500 7.0200004E-02 H -3.253800 -5.376200 1.200600 H -2.776500 -5.328300 -0.5135000 H -1.616400 -4.865000 0.7252000 %chk=000109878-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109878 0 1 O 0.463665 1.044337 -0.057828 O -2.289961 -2.889991 0.536213 N 5.248494 0.740080 0.127347 N -4.359767 1.469002 -0.492810 N 0.219789 -1.807586 0.096582 C 1.506751 0.211993 0.718501 C 1.414108 -1.223673 0.223356 C 3.971038 0.154548 0.196511 C 2.835325 0.866375 0.569017 C -0.801131 0.445480 -0.001630 C -0.899746 -0.974018 0.212019 C -3.228416 0.683146 -0.231109 C -1.918898 1.251318 -0.258783 C 2.628614 -1.927313 -0.110100 C 3.846897 -1.285037 -0.115385 C -2.226413 -1.520343 0.274766 C -3.362781 -0.713291 0.077470 C 5.447428 2.140580 0.540157 C 6.434091 0.033433 -0.398126 C -4.223767 2.896914 -0.849200 C -5.724368 0.928720 -0.326683 C 5.136997 3.169113 -0.575076 C 7.211434 -0.766505 0.674828 C -4.076689 3.855161 0.358321 C -6.202839 0.826845 1.143277 C -3.610412 -3.546088 0.512774 C -3.361360 -5.033268 0.751456 H 1.115042 0.251936 1.764597 H 2.867108 1.934654 0.797235 H -1.745775 2.314596 -0.431750 H 2.534523 -2.981337 -0.391858 H 4.740791 -1.857700 -0.376796 H -4.353896 -1.161510 0.147054 H 6.499456 2.255715 0.864699 H 4.820957 2.345264 1.429520 H 7.106119 0.793032 -0.841897 H 6.142543 -0.629721 -1.232667 H -3.359870 3.014984 -1.529408 H -5.118351 3.181720 -1.434266 H -5.790051 -0.063962 -0.813412 H -6.411764 1.588926 -0.886542 H 5.287241 4.201024 -0.205782 H 4.094328 3.070312 -0.921975 H 5.801083 3.015457 -1.445279 H 8.103457 -1.249790 0.232967 H 6.574936 -1.550063 1.121841 H 7.549087 -0.102050 1.491026 H -3.938612 4.894676 0.006367 H -3.204961 3.581939 0.977483 H -4.974181 3.828053 1.001468 H -7.211901 0.375764 1.188167 H -6.249969 1.824419 1.613679 H -5.516872 0.202913 1.741768 H -4.254346 -3.113931 1.307546 H -4.095128 -3.369670 -0.470148 H -4.318869 -5.585830 0.745911 H -2.709372 -5.446155 -0.036588 H -2.867638 -5.192295 1.725075