%chk=000104560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104560

0 1
O -1.461219 -1.900056 0.583802
O 0.852957 -0.407021 -1.611276
N 1.423376 0.818129 0.224232
N 5.023049 -0.350132 0.768064
C 2.873676 0.728178 -0.045169
C -0.922157 0.409886 -0.196379
C 0.491450 0.205083 -0.617963
C 3.572313 -0.166340 1.006423
C -1.756949 -0.593239 0.314351
C -1.462920 1.704223 -0.369180
C -3.101696 -0.307787 0.677084
C -2.775264 1.988195 -0.024725
C -3.596288 0.971668 0.504810
C -0.213350 -2.480440 0.131305
H 3.309549 1.750801 -0.044860
H 3.027854 0.311718 -1.071899
H 1.138507 1.295215 1.072157
H 3.092508 -1.171161 1.028901
H 3.440092 0.258037 2.026488
H -0.827317 2.487615 -0.787816
H -3.714485 -1.114374 1.077134
H -3.178901 2.987844 -0.165541
H -4.628446 1.200004 0.774898
H 5.506518 0.541759 0.738166
H 5.191077 -0.815737 -0.118955
H 0.623809 -2.050995 0.686895
H -0.095219 -2.348686 -0.953713
H -0.357424 -3.538088 0.386769


%chk=000104560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104560

0 1
O -1.661006 -2.050641 0.206443
O 0.898993 -0.667601 -1.371699
N 1.445763 0.916306 0.240348
N 5.095422 -0.264070 0.479220
C 2.884867 0.879920 -0.063809
C -0.911595 0.360290 -0.069812
C 0.529890 0.130602 -0.450184
C 3.663172 -0.173794 0.786518
C -1.879183 -0.674281 0.127594
C -1.366727 1.713138 -0.048202
C -3.249389 -0.331799 0.297391
C -2.720341 2.047245 0.133056
C -3.669404 1.007800 0.296739
C -0.325331 -2.624204 0.427612
H 3.317792 1.886204 0.097928
H 2.989244 0.622205 -1.132874
H 1.114598 1.462194 1.037485
H 3.199313 -1.162960 0.618452
H 3.544106 0.059681 1.862399
H -0.637307 2.509908 -0.235853
H -3.957638 -1.152896 0.444035
H -3.035859 3.095354 0.124676
H -4.731113 1.242576 0.429455
H 5.654476 0.556492 0.724239
H 5.320665 -0.638717 -0.445336
H 0.219893 -2.066597 1.214103
H 0.262182 -2.615387 -0.504171
H -0.520384 -3.652668 0.768250


