%chk=000081431.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081431 0 1 O -2.324800 1.414200 -9.9999997E-05 N -0.1984000 0.4197000 0.000000 N -1.951900 -0.9073000 1.9999999E-04 N -0.8489000 -1.720700 -9.9999997E-05 C 0.1519000 -0.8966000 -3.9999999E-04 C -1.575900 0.4487000 1.9999999E-04 C 0.6894000 1.458000 0.000000 C 1.596500 -1.217900 9.9999997E-05 C 2.003600 1.189900 -1.9999999E-04 C 2.458500 -0.1880000 3.0000001E-04 H 0.2904000 2.464300 9.9999997E-05 H 1.915300 -2.251700 3.9999999E-04 H -2.883200 -1.303300 1.9999999E-04 H 2.743300 1.981600 -3.0000001E-04 H 3.528800 -0.3640000 7.9999998E-04 %chk=000081431-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000081431 0 1 O -2.378358 1.487171 -0.000133 N -0.205949 0.409934 0.000054 N -1.959108 -0.899069 0.000035 N -0.860421 -1.790542 0.000240 C 0.203068 -0.954512 0.000170 C -1.643103 0.466347 -0.000018 C 0.687500 1.473552 0.000012 C 1.606412 -1.239518 0.000222 C 2.041028 1.196278 0.000062 C 2.503078 -0.178246 0.000169 H 0.239927 2.470466 -0.000084 H 1.925990 -2.284527 0.000288 H -2.903422 -1.276254 -0.000017 H 2.758177 2.020272 0.000009 H 3.579781 -0.374452 0.000193