%chk=000119522.chk %nprocshared=8 %mem=61GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119522 0 1 F 4.991900 1.794500 -7.9999998E-04 N 1.017000 -1.946100 3.0000001E-04 N -4.388600 1.501300 6.0000003E-04 C 0.2951000 0.1622000 -1.9999999E-04 C -0.1171000 -1.168300 -1.9999999E-04 C 1.726200 0.1671000 0.000000 C -0.6888000 1.173000 -1.9999999E-04 C -1.465900 -1.545800 -5.0000002E-04 C 2.146800 -1.162900 3.0000001E-04 C -2.052400 0.8206000 -9.9999997E-05 C -2.441100 -0.5335000 -3.0000001E-04 C -0.2948000 2.621100 9.9999997E-05 C 2.704400 1.183700 -1.9999999E-04 C -1.841000 -2.995200 -3.9999999E-04 C 3.497400 -1.530100 6.9999998E-04 C -3.805600 -0.8441000 -1.9999999E-04 C -3.065800 1.780800 3.0000001E-04 C 4.059000 0.8324000 9.9999997E-05 C 4.447300 -0.5052000 6.0000003E-04 C -4.723900 0.1946000 1.9999999E-04 H 1.030900 -2.956100 5.0000002E-04 H -1.025400 3.285900 -0.4647000 H -0.1008000 2.962100 1.021400 H 0.5937000 2.781800 -0.6128000 H 2.454200 2.237600 2.1600001E-02 H -2.425600 -3.238300 0.8934000 H -2.426400 -3.238100 -0.8937000 H -0.9747000 -3.662200 -8.9999998E-04 H 3.800500 -2.571700 1.0000000E-03 H -4.179500 -1.862500 -3.0000001E-04 H -2.885600 2.848600 2.6900001E-02 H 5.504700 -0.7567000 6.9999998E-04 H -5.790000 -8.2999999E-03 3.9999999E-04 %chk=000119522-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000119522 0 1 F 5.062033 1.839647 0.018406 N 1.023156 -1.982401 0.010999 N -4.460897 1.517454 -0.022321 C 0.273266 0.204784 0.000241 C -0.135933 -1.190119 0.002900 C 1.739562 0.211455 0.007261 C -0.684455 1.235807 -0.008071 C -1.472604 -1.605598 -0.002329 C 2.164534 -1.164248 0.013824 C -2.074275 0.848469 -0.011955 C -2.457476 -0.562341 -0.008786 C -0.227005 2.682665 -0.012158 C 2.724091 1.230710 0.008947 C -1.868580 -3.070275 -0.000350 C 3.522971 -1.538046 0.021506 C -3.864574 -0.855809 -0.011981 C -3.146539 1.811704 -0.018873 C 4.069487 0.832059 0.016694 C 4.494606 -0.513023 0.022900 C -4.801987 0.173868 -0.018641 H 1.037183 -2.998692 0.016805 H -1.056092 3.403629 -0.023985 H 0.386532 2.900985 0.882525 H 0.402580 2.890472 -0.898116 H 2.479237 2.294050 0.004928 H -2.460578 -3.329735 0.897643 H -2.486124 -3.324421 -0.882252 H -0.994344 -3.743532 -0.015940 H 3.829607 -2.588800 0.026285 H -4.209908 -1.893811 -0.008591 H -2.918694 2.882522 -0.021597 H 5.564192 -0.740708 0.028741 H -5.876873 -0.036520 -0.021060