%chk=000184682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184682

0 1
O -5.609476 0.080429 -0.776333
N 0.236657 2.303187 -0.004590
C -2.293373 -0.463604 0.198110
C -4.824722 -0.297366 0.368595
C -2.354213 -1.965828 0.244999
C -4.852527 -1.824534 0.531967
C -3.711299 -2.507188 -0.221616
C -3.437102 0.298259 0.250580
C -1.002777 0.185928 0.117859
C -0.950659 1.616521 0.069342
C -3.368510 1.732550 0.184695
C 0.225797 -0.512336 0.087071
C 1.436590 0.167958 0.014086
C -2.172641 2.379261 0.096536
C 1.392391 1.610533 -0.031097
C 2.736095 -0.500303 -0.018752
C 3.915374 0.279207 -0.094987
C 2.637625 2.368814 -0.109379
C 3.827401 1.731833 -0.139421
C 2.850405 -1.909949 0.023868
C 5.176749 -0.359586 -0.127402
C 4.094728 -2.520791 -0.008699
C 5.265914 -1.742306 -0.084881
H -5.393187 0.192280 1.198163
H -2.153013 -2.296302 1.287622
H -1.550433 -2.412757 -0.375640
H -5.831971 -2.202249 0.174123
H -4.803510 -2.080715 1.608022
H -3.754155 -3.602401 -0.069154
H -3.826022 -2.346661 -1.311683
H -4.309998 2.288200 0.195334
H 0.220183 -1.605227 0.120778
H -2.097757 3.466617 0.044796
H -5.165652 -0.187452 -1.605536
H 2.550355 3.457400 -0.141549
H 4.764028 2.288870 -0.198129
H 1.949122 -2.519727 0.083198
H 6.080716 0.245978 -0.186221
H 4.173941 -3.606600 0.024524
H 6.237526 -2.233142 -0.109900


%chk=000184682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184682

0 1
O -5.638378 -0.014223 -0.932250
N 0.234372 2.331102 0.017667
C -2.314781 -0.471741 0.153312
C -4.873351 -0.292208 0.318337
C -2.391278 -1.996760 0.151022
C -4.866536 -1.796080 0.647881
C -3.799690 -2.533055 -0.184761
C -3.476662 0.313738 0.224561
C -1.023680 0.188631 0.093501
C -0.953310 1.643652 0.075110
C -3.390523 1.751954 0.197966
C 0.211989 -0.515572 0.064330
C 1.447002 0.164902 0.011878
C -2.169903 2.405775 0.121553
C 1.399677 1.620662 -0.014960
C 2.751713 -0.510155 -0.017562
C 3.949597 0.288659 -0.078688
C 2.633750 2.376884 -0.076968
C 3.853578 1.736477 -0.108090
C 2.890852 -1.929741 0.011395
C 5.225165 -0.350095 -0.109415
C 4.154386 -2.540588 -0.019120
C 5.333477 -1.747187 -0.080333
H -5.465738 0.254154 1.073642
H -2.086153 -2.377166 1.149430
H -1.662467 -2.411173 -0.571554
H -5.877281 -2.198453 0.457339
H -4.648341 -1.932331 1.726596
H -3.841841 -3.621388 0.003664
H -4.006961 -2.392163 -1.265723
H -4.325902 2.322137 0.230998
H 0.198143 -1.608325 0.089461
H -2.087795 3.496196 0.102570
H -5.079998 -0.287081 -1.705168
H 2.543428 3.466817 -0.096667
H 4.783562 2.315424 -0.155096
H 2.002257 -2.567486 0.059258
H 6.126037 0.273225 -0.156088
H 4.232813 -3.632951 0.004505
H 6.317370 -2.227662 -0.104235


