%chk=000211477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211477

0 1
O 3.517008 0.693175 -0.046974
N -4.037714 -1.409397 -0.016028
C -1.277618 1.288670 0.025563
C -2.599918 0.565900 0.379750
C -2.719392 -0.781443 -0.350659
C -0.084830 0.329754 0.046051
C -1.600309 -1.723386 0.134791
C -0.247549 -1.073941 0.071238
C -1.066320 2.414413 1.057291
C -1.376001 1.891907 -1.390319
C 1.204966 0.865384 0.002058
C 0.880730 -1.905555 0.064205
C 2.318650 0.006646 -0.004170
C 2.176431 -1.383586 0.027242
C 4.736901 -0.084268 -0.049051
H -3.458487 1.219247 0.144162
H -2.655707 0.389989 1.473702
H -2.605176 -0.616400 -1.454475
H -1.613899 -2.661241 -0.453380
H -1.809118 -2.029270 1.185483
H -0.215883 3.053380 0.794867
H -1.946224 3.061231 1.129618
H -0.867862 2.006515 2.055075
H -1.529799 1.113224 -2.145416
H -2.204861 2.601828 -1.466064
H -0.459586 2.427368 -1.662899
H 1.373180 1.940483 -0.025750
H 0.752094 -2.987975 0.089246
H -4.183717 -2.254640 -0.558072
H -4.805449 -0.780199 -0.225810
H 3.031395 -2.048464 0.023497
H 4.784135 -0.715471 -0.940867
H 4.815754 -0.671170 0.870439
H 5.503974 0.700095 -0.081442


%chk=000211477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211477

0 1
O 3.597733 0.708259 -0.072296
N -4.061353 -1.408168 -0.055291
C -1.294828 1.306758 0.022954
C -2.618666 0.553232 0.344963
C -2.741776 -0.811492 -0.359957
C -0.088493 0.337520 0.046978
C -1.627469 -1.731548 0.172580
C -0.251663 -1.081781 0.087174
C -1.121301 2.431982 1.084147
C -1.388679 1.965089 -1.388774
C 1.220303 0.869600 -0.012377
C 0.901531 -1.900698 0.069363
C 2.360456 0.036312 -0.019758
C 2.208373 -1.370170 0.021252
C 4.807123 -0.114575 -0.069446
H -3.471474 1.205984 0.065820
H -2.697135 0.369372 1.434909
H -2.579415 -0.664414 -1.456334
H -1.621181 -2.694332 -0.377562
H -1.882132 -1.970294 1.225814
H -0.263070 3.088305 0.855118
H -2.027932 3.066055 1.113068
H -0.966203 2.004679 2.091306
H -1.562458 1.210046 -2.176298
H -2.220576 2.694745 -1.415838
H -0.454735 2.499704 -1.638906
H 1.388696 1.950584 -0.050303
H 0.774366 -2.990539 0.094432
H -4.176462 -2.361509 -0.418592
H -4.852351 -0.809154 -0.318105
H 3.071039 -2.042754 0.011345
H 4.847245 -0.779776 -0.954707
H 4.879846 -0.724671 0.852602
H 5.642438 0.600452 -0.106381


