%chk=000231250.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231250

0 1
O 2.065078 -1.794521 -0.002620
O -2.065088 1.794548 -0.002498
N 2.959640 0.370979 -0.002519
N -2.959635 -0.370959 -0.002544
N 2.463213 1.671496 -0.002471
N -2.463199 -1.671472 -0.002578
C 0.622599 0.236840 -0.002519
C -0.622595 -0.236803 -0.002529
C 1.140966 1.646389 -0.002473
C -1.140952 -1.646355 -0.002576
C 1.903569 -0.601839 -0.002568
C -1.903570 0.601867 -0.002528
C 4.385472 0.153577 -0.002627
C -4.385471 -0.153573 -0.002638
C 0.346285 2.887033 -0.002412
C -0.346259 -2.886992 -0.002586
C 4.880067 -1.162201 -0.002638
C -4.880088 1.162198 -0.002607
C 5.264519 1.253298 -0.002703
C -5.264499 -1.253308 -0.002739
C 6.261814 -1.366982 -0.002705
C -6.261840 1.366955 -0.002661
C 6.640143 1.022385 -0.002790
C -6.640127 -1.022419 -0.002814
C 7.144051 -0.283145 -0.002785
C -7.144058 0.283103 -0.002768
H -0.317224 2.948558 -0.884236
H 0.980056 3.789268 -0.002344
H -0.317263 2.948446 0.879388
H 0.317291 -2.948448 0.879209
H 0.317250 -2.948459 -0.884415
H -0.980021 -3.789233 -0.002570
H 4.203779 -2.020582 -0.002596
H -4.203817 2.020592 -0.002542
H 4.878921 2.274158 -0.002692
H -4.878883 -2.274161 -0.002761
H 6.650169 -2.385664 -0.002688
H -6.650212 2.385630 -0.002613
H 7.326007 1.869678 -0.002869
H -7.325977 -1.869723 -0.002913
H 8.218518 -0.452870 -0.002843
H -8.218527 0.452810 -0.002816


%chk=000231250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231250

0 1
O 2.056471 -1.845343 -0.002827
O -2.056415 1.845337 -0.002732
N 2.970585 0.343854 -0.002618
N -2.970571 -0.343846 -0.002637
N 2.490541 1.677230 -0.002500
N -2.490548 -1.677229 -0.002587
C 0.645459 0.258810 -0.002605
C -0.645444 -0.258840 -0.002618
C 1.149776 1.655410 -0.002504
C -1.149783 -1.655433 -0.002589
C 1.922685 -0.589941 -0.002690
C -1.922656 0.589933 -0.002661
C 4.388003 0.128819 -0.002656
C -4.387987 -0.128796 -0.002663
C 0.471922 2.997130 -0.002363
C -0.471959 -2.997168 -0.002516
C 4.929568 -1.183573 -0.002765
C -4.929548 1.183598 -0.002706
C 5.247310 1.258355 -0.002582
C -5.247300 -1.258328 -0.002646
C 6.331224 -1.349683 -0.002799
C -6.331203 1.349713 -0.002731
C 6.643874 1.069455 -0.002618
C -6.643863 -1.069423 -0.002671
C 7.196525 -0.232531 -0.002727
C -7.196508 0.232565 -0.002713
H -0.177815 3.129289 -0.881930
H 1.257894 3.770840 -0.002255
H -0.177852 3.129087 0.877209
H 0.177813 -3.129185 0.877048
H 0.177773 -3.129300 -0.882090
H -1.257950 -3.770860 -0.002445
H 4.265836 -2.049543 -0.002825
H -4.265813 2.049566 -0.002723
H 4.812923 2.260043 -0.002498
H -4.812917 -2.260019 -0.002612
H 6.744817 -2.364206 -0.002884
H -6.744792 2.364238 -0.002764
H 7.301861 1.945426 -0.002561
H -7.301854 -1.945391 -0.002657
H 8.282630 -0.372939 -0.002754
H -8.282613 0.372977 -0.002733


