%chk=000112837.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112837 0 1 O -0.9372000 -2.032100 -2.1299999E-02 O -3.495000 -0.1469000 -1.102700 N -3.516400 -0.1316000 1.190400 C 0.8717000 -0.4443000 -5.2000000E-03 C 1.293000 0.9068000 -1.1000000E-03 C -0.5022000 -0.7353000 -1.7100001E-02 C -1.447300 0.2910000 -2.4599999E-02 C 0.3279000 1.927100 -8.8999998E-03 C -1.033000 1.619600 -2.0600000E-02 C 1.836600 -1.464600 2.7000001E-03 C 2.666900 1.197700 1.0900000E-02 C 3.197500 -1.157200 1.4900000E-02 C 3.611900 0.1713000 1.9099999E-02 C -2.874400 -1.5000000E-03 -3.6400001E-02 H 0.6289000 2.972600 -6.0000001E-03 H -1.759900 2.428000 -2.6699999E-02 H 1.571900 -2.518000 -1.7300000E-02 H 3.013500 2.229100 1.4000000E-02 H 3.934200 -1.955400 1.7200001E-02 H 4.671500 0.4099000 2.7500000E-02 H -0.3160000 -2.593100 0.4692000 H -3.023300 -2.3700001E-02 2.071100 H -4.507600 -0.3413000 1.241000 %chk=000112837-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000112837 0 1 O -1.052672 -1.866429 0.646350 O -3.718887 1.406258 0.163465 N -3.525538 -0.858874 0.614987 C 0.863040 -0.371312 0.197680 C 1.336169 0.962205 -0.111265 C -0.558941 -0.577840 0.344162 C -1.480622 0.474216 0.193739 C 0.386715 2.025874 -0.261259 C -0.972379 1.780820 -0.112338 C 1.826325 -1.425043 0.343924 C 2.744670 1.181842 -0.258966 C 3.193650 -1.179893 0.193814 C 3.658630 0.137017 -0.110679 C -2.986475 0.376447 0.322510 H 0.748262 3.033050 -0.494615 H -1.722220 2.570911 -0.220904 H 1.519998 -2.455002 0.577331 H 3.093499 2.194450 -0.492441 H 3.912685 -1.997584 0.309325 H 4.732195 0.319666 -0.226130 H -0.324597 -2.527493 0.731343 H -2.921343 -1.674345 0.740212 H -4.538965 -0.920840 0.699858