%chk=000154591.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000154591 0 1 N -2.462000 -0.4556000 9.9999997E-05 N -1.514200 1.553900 1.9999999E-04 N 1.379400 1.937500 -3.0000001E-04 N 3.000300 -0.3481000 -9.9999997E-05 N -3.912600 1.394500 -6.0000003E-04 C -1.110800 -0.6869000 3.9999999E-04 C -0.5393000 0.5807000 6.9999998E-04 C 0.8645000 0.6886000 1.9999999E-04 C 1.035200 -1.715600 9.9999997E-05 C -0.3594000 -1.859400 9.9999997E-05 C 1.661000 -0.4694000 9.9999997E-05 C -2.652900 0.8979000 9.9999997E-05 C -3.489600 -1.474000 -3.9999999E-04 C 1.863000 -2.964700 -3.0000001E-04 C 2.721200 2.021300 -1.9999999E-04 C 3.516200 0.8995000 -9.9999997E-05 H -0.8275000 -2.837300 -9.9999997E-05 H -4.097400 -1.349100 -0.9005000 H -3.046500 -2.470800 7.9999998E-04 H -4.099400 -1.348000 0.8982000 H 2.496700 -3.001300 0.8921000 H 1.243900 -3.868400 5.0000002E-04 H 2.495100 -3.001800 -0.8939000 H -4.743100 0.8112000 -1.3000000E-03 H -4.082400 2.395200 -1.1000000E-03 H 3.138400 3.020400 -3.0000001E-04 H 4.597400 0.9649000 -1.9999999E-04 %chk=000154591-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000154591 0 1 N -2.531708 -0.491701 -0.000296 N -1.587191 1.609297 -0.000390 N 1.442482 2.024674 -0.000123 N 3.038338 -0.371255 0.000006 N -3.996613 1.457100 -0.000381 C -1.132557 -0.682391 -0.000271 C -0.575893 0.631751 -0.000248 C 0.847551 0.774461 -0.000148 C 1.045324 -1.763787 -0.000166 C -0.352384 -1.865868 -0.000255 C 1.652553 -0.449736 -0.000101 C -2.734448 0.901901 -0.000371 C -3.572173 -1.518833 -0.000266 C 1.929385 -2.993704 -0.000182 C 2.793116 2.051646 -0.000031 C 3.587444 0.861942 0.000043 H -0.817829 -2.858768 -0.000296 H -4.208621 -1.446826 -0.902832 H -3.101955 -2.514071 0.001008 H -4.209976 -1.445237 0.901211 H 2.595529 -3.003860 0.881044 H 1.323847 -3.917155 0.000424 H 2.594630 -3.004499 -0.882097 H -4.844190 0.899889 -0.000803 H -4.057563 2.471108 -0.000427 H 3.265898 3.040702 -0.000023 H 4.682202 0.918421 0.000170