%chk=000231202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231202

0 1
O 2.073871 -1.329218 -0.230914
O -2.053088 1.288346 0.313275
N 3.038347 0.645417 0.400090
N -3.017553 -0.686269 -0.317827
C 0.558209 0.483308 0.217445
C -0.537466 -0.524434 -0.134184
C 1.922954 -0.165099 0.101677
C -1.902177 0.124160 -0.019071
C 4.392922 0.175245 0.221915
C -4.372146 -0.215969 -0.140151
C 2.863049 2.048676 0.849974
C -2.842219 -2.089598 -0.767493
C 4.730666 -1.147679 0.562948
C -4.709642 1.106990 -0.481311
C 5.373530 1.048626 -0.285302
C -5.353033 -1.089251 0.366701
C 6.047649 -1.581226 0.407468
C -6.026637 1.540667 -0.326311
C 6.687448 0.596881 -0.426760
C -6.666958 -0.637376 0.507676
C 7.030547 -0.712851 -0.079494
C -7.009802 0.672390 0.160291
H 0.387750 0.882385 1.242479
H 0.482109 1.371241 -0.449003
H -0.461701 -1.412125 0.532624
H -0.366693 -0.923913 -1.159011
H 2.615519 2.713687 0.005162
H 3.783453 2.426475 1.329657
H 2.062058 2.122570 1.606595
H -2.040896 -2.163652 -1.523758
H -3.762445 -2.467315 -1.247576
H -2.595148 -2.754554 0.077487
H 3.962599 -1.836373 0.922086
H -3.941382 1.795605 -0.840188
H 5.118533 2.062222 -0.583241
H -5.098255 -2.102873 0.664728
H 6.308996 -2.606648 0.668335
H -6.287789 2.566113 -0.587273
H 7.447872 1.272213 -0.817373
H -7.427591 -1.312636 0.898006
H 8.055507 -1.057690 -0.193195
H -8.034769 1.017332 0.273616


%chk=000231202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231202

0 1
O 2.053405 -1.419299 -0.209469
O -2.032594 1.378686 0.291176
N 3.062377 0.617987 0.386258
N -3.041579 -0.658717 -0.304186
C 0.566043 0.461011 0.263932
C -0.545265 -0.501762 -0.181778
C 1.944912 -0.199671 0.127995
C -1.924122 0.158983 -0.046028
C 4.418577 0.145689 0.216749
C -4.397807 -0.186427 -0.134841
C 2.884703 2.049758 0.726713
C -2.863851 -2.090540 -0.644392
C 4.787862 -1.193522 0.517699
C -4.767154 1.152702 -0.436085
C 5.417409 1.052817 -0.229150
C -5.396617 -1.093519 0.311187
C 6.130214 -1.602498 0.372937
C -6.109537 1.561632 -0.291473
C 6.757944 0.632552 -0.366443
C -6.737181 -0.673298 0.448332
C 7.124449 -0.698164 -0.066872
C -7.103745 0.657336 0.148474
H 0.384354 0.767606 1.312532
H 0.508414 1.394172 -0.324885
H -0.487731 -1.434874 0.407124
H -0.363494 -0.808458 -1.230335
H 2.815593 2.691285 -0.173470
H 3.739962 2.384450 1.334829
H 1.972092 2.193210 1.322507
H -1.951189 -2.234067 -1.240093
H -3.719054 -2.425349 -1.252521
H -2.794798 -2.731919 0.255902
H 4.028741 -1.903749 0.845739
H -4.008061 1.862903 -0.764239
H 5.153193 2.082583 -0.489955
H -5.132363 -2.123218 0.572214
H 6.398895 -2.637806 0.611190
H -6.378264 2.596876 -0.529956
H 7.512014 1.346923 -0.715485
H -7.491228 -1.387641 0.797480
H 8.164206 -1.025148 -0.174768
H -8.143525 0.984285 0.256252


