%chk=000217744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217744

0 1
O 0.092357 -0.966469 -1.740577
O 1.833945 3.065134 -1.022454
O -3.030173 -0.644340 -0.517929
O 2.276045 -2.699374 -0.962652
O 3.202036 -2.547425 1.581085
O 0.393714 2.348128 -2.608191
O -3.532279 -0.698393 1.682334
N -1.520401 3.215608 1.621579
C -0.893723 1.030834 -0.152398
C -0.295827 2.419379 -0.285281
C -2.074598 1.026744 0.797843
C 0.180323 0.076816 0.343066
C -0.563033 3.416990 0.592248
C -2.316442 2.049466 1.664193
C 0.693896 -0.935692 -0.511440
C 0.697419 0.187996 1.632057
C 0.606166 2.573766 -1.440465
C -2.929645 -0.165307 0.769625
C 0.036988 4.782434 0.561990
C -3.405952 2.077327 2.681123
C 1.716735 -1.796000 -0.068545
C 1.707242 -0.661013 2.101544
C 2.218015 -1.643711 1.250862
C 2.904278 3.149576 -2.013701
C 0.708301 -1.739143 -2.805497
C -3.692827 -1.930219 -0.723934
C 2.140641 -4.090436 -0.558929
C 3.473942 1.768282 -2.263885
C 3.758489 -2.474158 2.917699
C -2.636743 -2.872984 -1.209058
C -2.868538 -4.156649 -1.467796
H -1.253843 0.694582 -1.171270
H -1.728095 3.980986 2.256472
H 0.307377 0.962900 2.295300
H 0.230794 5.196003 1.560223
H 1.018356 4.771841 0.045293
H -0.602901 5.492405 0.016888
H -4.297753 2.602180 2.307111
H -3.739802 1.046597 2.938306
H -3.109834 2.541045 3.630293
H 2.079866 -0.538817 3.111462
H 3.612366 3.826245 -1.503623
H 2.500890 3.614684 -2.930593
H 0.150567 -1.384033 -3.680656
H 0.555007 -2.805268 -2.618608
H 1.776084 -1.507767 -2.881578
H -4.452024 -1.701458 -1.495129
H -4.183975 -2.262923 0.212385
H 2.716291 -4.264619 0.358393
H 1.088043 -4.345765 -0.422451
H 2.582357 -4.618236 -1.409512
H 2.750252 1.132922 -2.797134
H 4.389044 1.808244 -2.863397
H 3.707729 1.254183 -1.321045
H 4.500676 -3.282142 2.892966
H 2.983494 -2.671125 3.663720
H 4.240518 -1.504949 3.075108
H -1.652703 -2.401028 -1.342444
H -2.105574 -4.831807 -1.826314
H -3.828357 -4.635743 -1.343083


%chk=000217744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217744

0 1
O 0.052972 -1.512637 -1.757942
O 1.466900 3.790659 -1.514543
O -2.829370 -0.712790 -0.925499
O 1.911714 -3.351145 -0.778320
O 3.010563 -3.055190 1.754916
O 1.005626 1.693045 -2.420801
O -3.887899 -0.552032 1.145023
N -1.253211 2.932809 1.634736
C -0.710124 0.912322 -0.294105
C -0.062222 2.308728 -0.343468
C -1.993387 0.921850 0.560303
C 0.283366 -0.136773 0.252082
C -0.290152 3.234337 0.662952
C -2.174610 1.871498 1.545344
C 0.655803 -1.283959 -0.507543
C 0.841671 0.009708 1.542720
C 0.821622 2.532465 -1.494593
C -2.989925 -0.155115 0.349172
C 0.361098 4.589963 0.849793
C -3.302656 1.968467 2.548683
C 1.557048 -2.248015 0.025999
C 1.750234 -0.923521 2.081993
C 2.116629 -2.058196 1.321716
C 2.394989 4.021553 -2.660668
C 0.961931 -1.499479 -2.934392
C -3.607142 -1.948798 -1.237472
C 1.468855 -4.666758 -0.270208
C 3.782192 3.439277 -2.370928
C 3.635785 -2.865604 3.065025
C -2.756959 -3.162734 -0.946460
C -3.192247 -4.229528 -0.232456
H -0.960699 0.599243 -1.319696
H -1.409529 3.620604 2.372622
H 0.563044 0.881799 2.143958
H 0.039488 5.051950 1.802211
H 1.458938 4.508438 0.844578
H 0.101064 5.271156 0.022489
H -3.881920 2.900392 2.398631
H -3.973957 1.104553 2.457195
H -2.898599 1.984022 3.580471
H 2.162850 -0.761270 3.082003
H 2.420546 5.119617 -2.757352
H 1.955658 3.569657 -3.567097
H 0.317860 -1.754146 -3.790753
H 1.757461 -2.253868 -2.812266
H 1.371634 -0.483186 -3.056599
H -3.815666 -1.850043 -2.317001
H -4.548107 -1.951413 -0.660171
H 1.956352 -4.894165 0.693666
H 0.367306 -4.683209 -0.156621
H 1.779757 -5.393740 -1.036397
H 3.729385 2.342100 -2.276123
H 4.472306 3.682607 -3.200535
H 4.200743 3.858895 -1.439300
H 4.305815 -3.728975 3.190962
H 2.881504 -2.856027 3.876056
H 4.224710 -1.928509 3.095614
H -1.741215 -3.120736 -1.364036
H -2.555427 -5.106618 -0.067523
H -4.195194 -4.257234 0.211554


