%chk=000213518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213518

0 1
P -2.354399 0.305977 -0.569599
O -2.723562 -0.833835 0.564320
O 3.488105 -0.809979 -0.197940
O -1.990594 -0.086166 -1.946493
O -1.270299 3.383840 1.706630
N -1.410106 1.563452 0.285566
N -0.055717 -0.207848 -0.145382
N 1.025254 1.846210 0.635746
N -3.935692 1.110182 -0.520662
C 1.129636 -0.810478 -0.334214
C -0.068379 1.117566 0.311594
C 1.159744 -2.206148 -0.885699
C 2.331369 -0.091279 -0.000500
C -2.309038 -2.209843 0.320491
C 2.231377 1.215503 0.485753
C 1.579705 -3.205499 0.187674
C -1.929967 2.735988 0.936778
C -1.649980 -2.675539 1.606141
C 4.736831 -0.092038 -0.029010
H 0.161996 -2.474785 -1.305435
H 1.871278 -2.238631 -1.741871
H -3.261831 -2.739709 0.122987
H -1.638168 -2.297905 -0.558045
H 3.105006 1.816259 0.762994
H 2.579832 -2.969212 0.579643
H 1.613103 -4.225126 -0.211737
H 0.875291 -3.198683 1.036316
H -4.601800 0.730462 0.163300
H -4.414998 1.165702 -1.428354
H -2.974451 2.953316 0.644603
H -1.906520 -3.711813 1.847045
H -0.551342 -2.593851 1.560010
H -1.979427 -2.047195 2.449503
H 4.858491 0.219766 1.012193
H 4.792209 0.753089 -0.721223
H 5.470143 -0.865250 -0.295523


%chk=000213518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213518

0 1
P -2.578985 0.497677 -0.528482
O -3.433764 -0.750898 0.308989
O 3.903347 -0.525061 -0.716528
O -2.012679 0.148258 -1.972521
O -0.632772 2.011435 2.614534
N -1.247873 1.069570 0.540609
N 0.357363 -0.646592 0.152954
N 0.976976 1.692559 -0.045984
N -3.787516 1.692503 -0.308531
C 1.619190 -1.041603 -0.172852
C 0.099040 0.692169 0.200925
C 1.922065 -2.519778 -0.228301
C 2.628027 -0.054162 -0.415153
C -2.892108 -2.145619 0.231506
C 2.253526 1.308772 -0.340299
C 2.551734 -3.027489 1.098636
C -1.507385 1.731784 1.763191
C -3.777082 -2.989947 1.142270
C 4.948509 0.472514 -0.999305
H 0.976190 -3.053841 -0.423708
H 2.620391 -2.722013 -1.059913
H -2.938798 -2.479907 -0.821622
H -1.835567 -2.133906 0.558005
H 2.964274 2.119712 -0.526453
H 3.509527 -2.516776 1.300074
H 2.747543 -4.112810 1.037152
H 1.871892 -2.845170 1.949441
H -4.736872 1.389262 -0.094622
H -3.663629 2.627651 -0.692370
H -2.584438 1.970242 1.877790
H -3.438220 -4.042436 1.120354
H -3.725437 -2.627750 2.183057
H -4.828796 -2.956399 0.809720
H 5.122956 1.123652 -0.122025
H 4.681453 1.087749 -1.879170
H 5.851019 -0.116852 -1.213768


