%chk=000215104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215104

0 1
O 0.453035 -2.168820 -2.718047
O 0.531087 3.311576 -1.811660
O 3.735503 2.767193 1.660656
O -4.021828 0.474525 -2.015782
O -2.537578 -0.276429 2.514938
O -4.620486 0.157787 0.829805
N 2.855259 0.019177 0.772668
C 2.100102 -3.637408 0.230127
C 3.041482 -2.427234 0.510509
C 0.727566 0.226846 -1.235163
C 1.467417 -1.054403 -0.895624
C 2.401809 -1.138177 0.091230
C 1.653828 -3.585098 -1.244856
C 1.453126 1.395359 -0.644766
C 1.111329 -2.243752 -1.701710
C 2.405678 1.253769 0.317695
C 2.880185 -4.937479 0.485267
C 0.877596 -3.577101 1.157583
C 2.148544 3.644312 -0.009163
C 1.239901 2.831015 -0.972747
C -0.692480 0.174185 -0.679071
C 2.912803 2.600260 0.803303
C 3.086908 4.564615 -0.770114
C -0.898438 -0.026279 0.700062
C -1.769266 0.330822 -1.541232
C -3.089615 0.286726 -1.034787
C -2.201190 -0.065695 1.195620
C -3.324327 0.087992 0.339211
C -5.426557 0.492883 -1.648936
C -1.457880 -0.408018 3.471701
C -5.070169 -1.057085 1.490768
H 3.995025 -2.563181 -0.044501
H 3.319563 -2.423571 1.582693
H 0.684407 0.331461 -2.356600
H 0.884463 -4.361558 -1.441046
H 2.494049 -3.855990 -1.917663
H 3.572971 -0.026504 1.488964
H 3.207943 -5.016301 1.527242
H 2.259542 -5.818262 0.279830
H 3.770281 -5.019164 -0.147017
H 1.162546 -3.586280 2.213120
H 0.278447 -2.672419 0.980792
H 0.209548 -4.430803 0.994288
H 1.498985 4.247256 0.673651
H 3.722923 5.141818 -0.084984
H 3.746590 4.015283 -1.453504
H 2.515274 5.281359 -1.380112
H -0.041681 -0.139041 1.352543
H -1.630543 0.482279 -2.612322
H -5.731553 -0.499707 -1.308267
H -5.899617 0.765058 -2.598951
H -5.606501 1.244299 -0.870647
H -0.856784 0.505698 3.493528
H -0.853148 -1.289701 3.243841
H -2.009471 -0.535536 4.412013
H -6.107856 -0.811555 1.736451
H -4.476910 -1.222588 2.398220
H -5.003437 -1.908314 0.811052


%chk=000215104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215104

0 1
O 0.313157 -2.432346 -2.538997
O 0.348924 3.165840 -1.977482
O 3.671109 2.787693 1.545580
O -4.287002 0.502807 -1.925058
O -2.675314 -0.468562 2.570685
O -4.803005 0.045024 0.843984
N 2.784408 0.041987 0.756756
C 2.368691 -3.719007 0.306880
C 3.148651 -2.402699 0.589980
C 0.608839 0.078750 -1.234962
C 1.423104 -1.167260 -0.839901
C 2.398148 -1.163705 0.145819
C 1.905847 -3.683157 -1.175663
C 1.323078 1.308069 -0.712946
C 1.139035 -2.416371 -1.572039
C 2.295174 1.236694 0.267859
C 3.310376 -4.926504 0.533318
C 1.144507 -3.842938 1.253279
C 1.993797 3.609505 -0.146057
C 1.105844 2.728511 -1.067596
C -0.829870 0.036792 -0.679451
C 2.773637 2.580345 0.682521
C 2.897428 4.598017 -0.918678
C -1.048601 -0.219323 0.698723
C -1.924575 0.305309 -1.521451
C -3.241375 0.301751 -1.008329
C -2.361540 -0.225610 1.218918
C -3.479494 0.018978 0.365933
C -5.219409 1.616048 -1.639210
C -1.558730 -0.675917 3.493130
C -5.313658 -1.225259 1.406111
H 4.125749 -2.439553 0.062794
H 3.380452 -2.331086 1.672852
H 0.524223 0.117367 -2.336969
H 1.265863 -4.551868 -1.414550
H 2.793223 -3.752669 -1.840384
H 3.517474 0.063940 1.470391
H 3.669141 -4.962345 1.579801
H 2.783215 -5.875984 0.327392
H 4.194868 -4.879822 -0.129985
H 1.468309 -3.861361 2.311497
H 0.430952 -3.010033 1.120921
H 0.599010 -4.782964 1.051719
H 1.331362 4.190312 0.527890
H 3.502784 5.193336 -0.214181
H 3.581331 4.064098 -1.602119
H 2.270552 5.276874 -1.521004
H -0.193464 -0.410471 1.354474
H -1.782239 0.512125 -2.585616
H -5.700864 1.482782 -0.656401
H -5.965134 1.577797 -2.447844
H -4.676566 2.580445 -1.674459
H -0.891692 0.207601 3.519902
H -0.971648 -1.576671 3.223569
H -2.023933 -0.818589 4.479710
H -6.361011 -1.019341 1.675134
H -4.735629 -1.512017 2.300639
H -5.269110 -2.025267 0.643271


