%chk=000224707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224707

0 1
O 0.501363 1.104156 1.056239
O -3.331911 -0.725503 1.948759
O -4.944782 -1.405955 -0.521246
O 0.787674 1.611011 -1.144434
O 3.447856 1.506965 0.316743
O -5.064197 0.788596 -1.132720
N 2.927839 -0.663224 -0.247798
C -1.675093 2.171071 1.018657
C -2.453697 3.489188 1.098885
C -0.190835 2.379093 1.292647
C -3.950739 3.256711 0.905890
C -0.754129 -1.542809 -0.437391
C 1.513122 -0.541052 -0.276255
C 0.716485 -1.617085 -0.427245
C 0.932053 0.855534 -0.217020
C -1.432638 -1.168397 0.721935
C -1.466347 -1.855054 -1.613745
C -2.841542 -1.085169 0.720146
C -3.540923 -1.382694 -0.463735
C -2.853388 -1.761646 -1.627289
C 3.831642 0.389699 0.055075
C 5.262481 -0.047402 0.000135
C 6.095941 0.492931 -0.987509
C 5.767034 -0.947008 0.947889
C 7.441764 0.117398 -1.032438
C 7.114573 -1.313784 0.898709
C 7.949794 -0.784612 -0.091725
C -4.753226 -0.481639 2.085488
C -5.619004 -0.263737 -0.960891
C -7.054896 -0.623968 -1.110095
H -2.096066 1.427021 1.726913
H -1.807840 1.718526 0.012120
H -2.272445 3.983423 2.072688
H -2.082785 4.189830 0.323690
H 0.045125 2.555336 2.356068
H 0.264912 3.159089 0.656788
H -4.491805 4.204431 0.818343
H -4.382950 2.700559 1.743550
H -4.154452 2.678594 -0.009905
H 1.118029 -2.625410 -0.545796
H -0.887962 -0.906928 1.633469
H -0.927264 -2.144816 -2.513285
H 3.301658 -1.592732 -0.454415
H -3.422431 -1.980148 -2.530709
H 5.697276 1.207406 -1.710309
H 5.117881 -1.348335 1.726339
H 8.095354 0.533531 -1.798647
H 7.515340 -2.009236 1.635251
H 9.000398 -1.072999 -0.127391
H -4.850324 -0.341146 3.169461
H -5.018156 0.431069 1.541603
H -5.328168 -1.347870 1.741649
H -7.698045 0.070970 -0.548286
H -7.360244 -0.561537 -2.168114
H -7.273510 -1.648544 -0.766537


%chk=000224707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224707

0 1
O 1.156333 1.552633 1.148593
O -4.561305 0.417059 -0.971329
O -5.473344 -2.248476 -1.289866
O -0.358213 1.905876 -0.590007
O 3.063257 1.723896 -1.029113
O -5.530311 -4.022773 0.260978
N 2.369086 -0.403935 -0.374881
C -0.359067 2.926993 2.582995
C -0.606416 4.325089 3.198429
C 0.870807 2.926189 1.665447
C -1.829743 4.341028 4.140395
C -1.297497 -1.382729 -0.989696
C 0.969296 -0.161692 -0.484413
C 0.157613 -1.195528 -0.896967
C 0.514129 1.197917 -0.032190
C -2.279286 -0.349922 -0.985061
C -1.750285 -2.731385 -1.127247
C -3.652309 -0.653250 -1.067744
C -4.071887 -2.009164 -1.168953
C -3.117562 -3.045800 -1.212647
C 3.354216 0.564742 -0.604987
C 4.767202 0.129114 -0.337192
C 5.805855 0.814697 -1.018424
C 5.098986 -0.902762 0.580788
C 7.152983 0.457680 -0.806738
C 6.449494 -1.256021 0.794868
C 7.478498 -0.582567 0.096568
C -5.430104 0.650915 -2.144530
C -6.120605 -3.265461 -0.528049
C -7.598215 -3.240490 -0.843546
H -0.212008 2.184749 3.391665
H -1.247687 2.613680 2.003666
H 0.295459 4.650042 3.756711
H -0.756395 5.063690 2.385320
H 1.790136 3.194489 2.212153
H 0.730435 3.600971 0.802366
H -1.995402 5.346509 4.568595
H -1.693038 3.632990 4.979250
H -2.748076 4.046637 3.599159
H 0.712003 -2.111639 -1.160199
H -1.988797 0.702028 -0.944459
H -1.016499 -3.545653 -1.150012
H 2.670475 -1.369267 -0.227853
H -3.444153 -4.085048 -1.292142
H 5.531077 1.625371 -1.701224
H 4.317466 -1.399550 1.168606
H 7.948531 0.988136 -1.341077
H 6.699375 -2.044394 1.513232
H 8.525591 -0.858488 0.263397
H -6.039561 1.527822 -1.878762
H -4.815041 0.878917 -3.036228
H -6.077237 -0.220999 -2.342878
H -8.103278 -4.063242 -0.317888
H -8.031969 -2.276205 -0.525448
H -7.759212 -3.331720 -1.931234


