%chk=000001254.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000001254 0 1 O 0.4167000 2.365600 0.4212000 C 0.7056000 -3.5100002E-02 0.4283000 C -7.0400000E-02 1.156700 -0.1560000 C 0.1195000 -1.363600 -6.7000002E-02 C -2.149100 -0.2825000 -0.3743000 C -1.570500 1.044700 0.1258000 C -1.376900 -1.466600 0.2195000 C 2.195900 4.7600001E-02 8.7200001E-02 C -3.635600 -0.3844000 -3.7999999E-02 C 2.964000 -1.075700 0.7771000 C 2.400900 -6.6999998E-03 -1.423800 H 0.6107000 1.1000000E-03 1.523300 H 5.0500002E-02 1.236600 -1.239400 H 0.6057000 -2.217000 0.4162000 H 0.2458000 -1.486500 -1.147100 H -2.047800 -0.3149000 -1.467300 H -2.091200 1.889100 -0.3438000 H -1.750700 1.154300 1.204000 H -1.760700 -2.407300 -0.1934000 H -1.534400 -1.509700 1.305000 H 2.598700 0.9985000 0.4579000 H -4.192800 0.4445000 -0.4872000 H -4.057400 -1.319000 -0.4227000 H -3.802600 -0.3576000 1.044100 H 2.772200 -2.056600 0.3315000 H 4.042000 -0.8974000 0.6899000 H 2.727300 -1.124200 1.845200 H 2.101500 -0.9567000 -1.873900 H 3.471900 9.8300003E-02 -1.639800 H 1.913400 0.8109000 -1.958600 H 0.2875000 2.312600 1.383600 %chk=000001254-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000001254 0 1 O 0.455083 2.406409 0.380877 C 0.700084 -0.094974 0.339266 C -0.101532 1.140193 -0.152221 C 0.052672 -1.389430 -0.225411 C -2.246550 -0.272132 -0.352147 C -1.601512 1.027928 0.192278 C -1.443853 -1.499984 0.145354 C 2.230700 0.030998 0.052707 C -3.738907 -0.363285 0.030304 C 3.048599 -0.982581 0.889105 C 2.591700 -0.089103 -1.448621 H 0.582094 -0.125533 1.449167 H 0.020939 1.257156 -1.244922 H 0.600461 -2.275722 0.147558 H 0.147526 -1.398485 -1.330069 H -2.171566 -0.248853 -1.461733 H -2.127837 1.918934 -0.200534 H -1.715284 1.043964 1.299920 H -1.873763 -2.428008 -0.281228 H -1.549564 -1.575528 1.248623 H 2.515688 1.051984 0.379525 H -4.305708 0.509039 -0.345524 H -4.203695 -1.276062 -0.387399 H -3.860516 -0.396648 1.130418 H 2.823375 -2.027113 0.600643 H 4.133661 -0.826214 0.741786 H 2.836157 -0.876724 1.970238 H 2.392642 -1.105996 -1.835600 H 3.667536 0.117720 -1.599070 H 2.027515 0.632333 -2.067291 H 0.303555 2.414719 1.361501