%chk=000227951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227951

0 1
O 0.815690 -1.928551 1.060508
O 3.174254 0.560865 -0.069929
O 1.042948 -1.796593 -1.186342
O 1.931920 1.653712 -1.621379
O 0.416243 2.823535 1.383889
N 0.941035 0.595635 1.554723
C 0.816289 0.279723 0.121780
C -0.508454 0.776063 -0.499611
C -1.743836 0.114650 0.115740
C -3.028677 0.666739 -0.516642
C -4.276009 0.006360 0.084939
C 0.914242 -1.245115 -0.123244
C 1.996549 0.938995 -0.658082
C -5.561827 0.562182 -0.543534
C 0.716474 1.878636 2.086719
C -6.808673 -0.090738 0.048886
C 0.840220 -3.395806 1.010769
C 4.424259 1.040198 -0.671533
C 0.890919 1.953411 3.577741
C -0.508829 -3.911666 0.561912
C 4.723382 0.249743 -1.926205
H -0.563009 1.886336 -0.376509
H -0.478398 0.609058 -1.597880
H -1.701408 -0.984224 -0.017199
H -1.760068 0.287944 1.210143
H -3.009398 0.508670 -1.612622
H -3.076299 1.764581 -0.372557
H -4.232142 -1.089840 -0.060822
H -4.296808 0.164837 1.180283
H 1.240575 -0.174928 2.156364
H -5.608541 1.659230 -0.396290
H -5.543059 0.405917 -1.640019
H -6.878590 0.078769 1.129273
H -7.720185 0.313580 -0.405657
H -6.813822 -1.174220 -0.114562
H 1.663292 -3.707835 0.343189
H 1.073344 -3.629505 2.065541
H 4.325443 2.124135 -0.859907
H 5.133279 0.843727 0.152907
H 1.920775 1.732250 3.888937
H 0.663379 2.975330 3.926376
H 0.219342 1.273029 4.117272
H -0.573810 -5.002512 0.658649
H -0.699877 -3.665495 -0.494425
H -1.327426 -3.475331 1.149090
H 5.724305 0.472045 -2.313780
H 4.001483 0.481483 -2.725492
H 4.663402 -0.832209 -1.748810


%chk=000227951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227951

0 1
O 0.866595 -2.004105 1.048153
O 3.133979 0.651551 -0.000557
O 0.928213 -1.799449 -1.273353
O 1.851113 1.503788 -1.755385
O 1.195382 2.796409 1.233611
N 0.829624 0.530249 1.542849
C 0.748095 0.245456 0.101305
C -0.587026 0.749144 -0.533274
C -1.848943 0.108053 0.076868
C -3.142895 0.692476 -0.533711
C -4.428251 0.062690 0.047939
C 0.867286 -1.275673 -0.142407
C 1.941989 0.907890 -0.666690
C -5.723512 0.646570 -0.561173
C 1.058219 1.805317 2.018199
C -7.004334 0.011691 0.022298
C 0.945557 -3.496848 0.918904
C 4.368753 1.224490 -0.625322
C 1.147319 1.941597 3.533667
C -0.443521 -4.096546 0.690187
C 4.915771 0.285936 -1.703970
H -0.604738 1.845869 -0.402254
H -0.533671 0.550398 -1.617997
H -1.839886 -0.990186 -0.087430
H -1.857731 0.266429 1.174102
H -3.127752 0.546431 -1.633614
H -3.162079 1.789323 -0.366422
H -4.409397 -1.034907 -0.120084
H -4.444350 0.208578 1.148628
H 0.820902 -0.276527 2.170189
H -5.742195 1.742648 -0.392901
H -5.705291 0.502017 -1.660682
H -7.061510 0.168302 1.116235
H -7.914859 0.446978 -0.429146
H -7.024802 -1.079410 -0.161177
H 1.629925 -3.730533 0.085111
H 1.387398 -3.813673 1.876782
H 4.116427 2.216195 -1.039037
H 5.060518 1.332829 0.225176
H 2.159868 2.288207 3.804699
H 0.435741 2.715201 3.868979
H 0.935664 1.001691 4.071798
H -0.370393 -5.199811 0.678545
H -0.856303 -3.770451 -0.278807
H -1.139576 -3.806249 1.495939
H 5.862427 0.693837 -2.105044
H 4.200533 0.189613 -2.537420
H 5.119614 -0.716684 -1.289709


