%chk=000113396.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113396 0 1 O -2.363500 1.534000 -1.724500 N -2.524600 -0.5201000 -0.6601000 N -2.030000 1.459600 0.5679000 N 0.1931000 -1.174500 0.1933000 N 1.300000 -1.730500 1.8300001E-02 C -2.204400 -1.385500 0.4901000 C -0.8934000 -2.142900 0.2779000 C -2.128800 -0.5904000 1.753000 C -2.295300 0.8712000 -0.6840000 C -2.024000 0.7386000 1.740600 C -3.113400 -1.139900 -1.843100 C -1.824400 2.901800 0.6729000 C 2.314900 -0.7620000 -5.8400001E-02 C 2.968800 -0.3536000 1.100200 C 2.658700 -0.2172000 -1.292000 C 3.975900 0.6086000 1.024600 C 3.665900 0.7449000 -1.367500 C 4.324400 1.157800 -0.2092000 H -3.029400 -2.101300 0.5894000 H -0.9413000 -2.739500 -0.6410000 H -0.7197000 -2.834100 1.113100 H -2.116800 -1.120800 2.700500 H -1.915900 1.300500 2.661700 H -2.379100 -1.814200 -2.291500 H -3.415100 -0.3996000 -2.588300 H -3.996600 -1.709600 -1.540000 H -1.768300 3.371900 -0.3124000 H -0.8884000 3.094900 1.206900 H -2.662200 3.340200 1.224300 H 2.703800 -0.7764000 2.065600 H 2.150900 -0.5332000 -2.199400 H 4.488600 0.9302000 1.926400 H 3.937300 1.172700 -2.328100 H 5.108500 1.907000 -0.2681000 %chk=000113396-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000113396 0 1 O -1.611994 0.837663 -2.184768 N -2.173288 -0.798784 -0.605010 N -2.131537 1.509878 0.001192 N 0.115145 -1.094998 1.311566 N 0.888700 -1.357332 0.297539 C -2.348349 -1.250176 0.793196 C -1.057072 -1.988969 1.346217 C -2.797901 -0.109868 1.673286 C -1.937063 0.522325 -0.997349 C -2.649309 1.176766 1.263921 C -2.025135 -1.848039 -1.629588 C -1.896170 2.920797 -0.349432 C 2.036347 -0.491034 0.168041 C 2.845189 -0.736838 -0.969374 C 2.380722 0.542472 1.082689 C 3.995535 0.047280 -1.200685 C 3.532395 1.317193 0.847680 C 4.341886 1.074350 -0.292201 H -3.127098 -2.044889 0.791784 H -0.885702 -2.911286 0.755052 H -1.262341 -2.245448 2.401590 H -3.216135 -0.337873 2.656056 H -2.935124 2.026068 1.891697 H -1.035073 -2.337124 -1.561606 H -2.116268 -1.382881 -2.622084 H -2.819414 -2.606505 -1.496410 H -1.527549 2.950423 -1.385564 H -1.140373 3.368001 0.321289 H -2.833138 3.505737 -0.285754 H 2.548013 -1.537343 -1.654834 H 1.738642 0.710602 1.953135 H 4.616963 -0.139017 -2.083079 H 3.807162 2.113648 1.548670 H 5.235532 1.683800 -0.467763