%chk=000112946.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112946 0 1 N 3.902000 1.154900 -5.0000002E-04 N 3.909600 -1.109500 1.8000000E-03 N 5.128000 0.6127000 3.0000001E-04 N 5.180500 -0.7265000 2.0999999E-03 C -1.051300 7.0000002E-03 -6.9999998E-04 C -2.498000 -3.4000000E-03 9.9999997E-05 C 1.738600 2.6500000E-02 -1.8000000E-03 C -0.3621000 1.219800 -4.1999999E-03 C -0.3452000 -1.196000 2.4000001E-03 C 1.032700 1.229600 -4.8000002E-03 C 1.049700 -1.186300 1.8000000E-03 C -3.195100 -3.4000000E-03 1.208300 C -3.195800 -1.1700000E-02 -1.207600 C 3.174600 3.6800001E-02 3.0000001E-04 C -4.589900 -1.1400000E-02 1.208700 C -4.590600 -1.9600000E-02 -1.207100 C -5.287800 -1.9500000E-02 1.0000000E-03 H -0.8972000 2.166600 -6.5000001E-03 H -0.8669000 -2.150300 5.4000001E-03 H 1.536500 2.192900 -7.1999999E-03 H 1.571900 -2.139800 4.6999999E-03 H -2.666800 3.3000000E-03 2.158800 H -2.668000 -1.1500000E-02 -2.158500 H -5.132800 -1.1100000E-02 2.149400 H -5.134100 -2.5800001E-02 -2.147400 H -6.373800 -2.5699999E-02 1.3000000E-03 H 5.967200 1.182600 3.0000001E-04 %chk=000112946-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000112946 0 1 N 4.029053 1.170194 -0.001725 N 4.035689 -1.136509 0.001398 N 5.288846 0.632650 -0.000846 N 5.335359 -0.751201 0.000764 C -1.062522 0.007934 0.000039 C -2.564741 -0.002861 0.000169 C 1.788926 0.029330 -0.000135 C -0.345482 1.234589 -0.002867 C -0.327183 -1.207214 0.002805 C 1.063229 1.249351 -0.002964 C 1.082183 -1.201306 0.002744 C -3.286804 -0.003502 1.222449 C -3.286947 -0.012638 -1.221993 C 3.255142 0.031986 -0.000188 C -4.700565 -0.013634 1.222632 C -4.700707 -0.022756 -1.221941 C -5.412110 -0.023189 0.000407 H -0.899062 2.179973 -0.005097 H -0.866275 -2.160884 0.005049 H 1.607115 2.199778 -0.005283 H 1.644656 -2.140452 0.004866 H -2.738211 0.003391 2.171409 H -2.738459 -0.012807 -2.171037 H -5.244009 -0.014351 2.174395 H -5.244262 -0.030575 -2.173609 H -6.507975 -0.031211 0.000503 H 6.131016 1.207115 -0.001545