%chk=000007015.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000007015 0 1 N 0.7947000 -2.252700 6.0000003E-04 C 0.6560000 0.1908000 1.9999999E-04 C -0.7903000 0.1531000 3.9999999E-04 C 1.414500 -0.9820000 1.9999999E-04 C 1.297900 1.431100 0.000000 C -1.487100 0.1348000 -1.207800 C -1.487800 0.1356000 1.208100 C 2.807600 -0.9148000 0.000000 C 2.691100 1.498300 -3.0000001E-04 C 3.446000 0.3254000 -1.9999999E-04 C -2.881500 9.9100001E-02 -1.208300 C -2.882200 9.9900000E-02 1.207700 C -3.579000 8.1500001E-02 -5.0000002E-04 H 0.7268000 2.356800 0.000000 H -0.9589000 0.1478000 -2.158300 H -0.9602000 0.1492000 2.158900 H 3.408700 -1.820600 0.000000 H 3.188300 2.463900 -5.0000002E-04 H 4.530800 0.3780000 -3.0000001E-04 H -3.424200 8.4700003E-02 -2.148900 H -3.425500 8.6199999E-02 2.148000 H -4.664700 5.3500000E-02 -7.9999998E-04 H -0.2118000 -2.341800 9.9999997E-05 H 1.366100 -3.087500 -9.9999997E-05 %chk=000007015-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000007015 0 1 N 0.805744 -2.236170 0.000138 C 0.688467 0.214797 0.000019 C -0.813526 0.157925 -0.000080 C 1.452567 -0.998489 0.000061 C 1.367973 1.454853 0.000043 C -1.539659 0.126871 -1.221461 C -1.539911 0.128036 1.221169 C 2.875786 -0.922781 0.000102 C 2.780105 1.527187 0.000082 C 3.527659 0.326018 0.000110 C -2.953083 0.082395 -1.222546 C -2.953339 0.083559 1.221997 C -3.664520 0.060668 -0.000336 H 0.772370 2.375442 0.000009 H -0.988548 0.148033 -2.168662 H -0.989004 0.150067 2.168468 H 3.463408 -1.849638 0.000145 H 3.284614 2.498699 0.000087 H 4.623499 0.360730 0.000135 H -3.496968 0.067504 -2.174055 H -3.497419 0.069565 2.173408 H -4.760001 0.028948 -0.000435 H -0.209649 -2.283748 -0.000081 H 1.338734 -3.100171 -0.000119