%chk=000211168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211168

0 1
O 3.920216 -2.357387 -0.555554
O -0.815567 -2.024020 -1.542088
O 3.786540 0.055008 1.560025
O -0.668922 -0.205123 1.361716
N 2.402396 -2.750293 1.097644
N -0.442275 -3.017919 0.474568
N 0.944869 0.941598 -2.006925
N -4.093511 0.523819 -1.670446
C 1.435807 -4.422005 -0.493381
C 2.346902 -4.188559 0.721782
C -0.061186 -4.299120 -0.190197
C 1.388797 -2.238828 2.048218
C -0.011964 -2.875560 1.886506
C 3.196335 -1.908996 0.318397
C -0.775720 -1.930208 -0.317756
C 3.157896 -0.385566 0.625604
C -1.244871 -0.611879 0.375732
C 2.331969 0.372080 -0.291699
C -2.377616 0.027499 -0.254984
C 2.063560 1.789633 -0.189877
C -3.009050 1.240296 0.223631
C 1.185253 2.127871 -1.269989
C -4.085766 1.533682 -0.673134
C 1.639659 -0.103788 -1.412166
C -3.063185 -0.370414 -1.410030
C 2.476357 2.792596 0.705642
C -2.761547 2.097211 1.310487
C 0.713143 3.437859 -1.465610
C -4.918576 2.652483 -0.500204
C 2.011245 4.082132 0.508239
C -3.582971 3.200374 1.477623
C 1.138568 4.400734 -0.564402
C -4.650106 3.473683 0.584040
H 1.717956 -3.710201 -1.300983
H 1.638213 -5.427111 -0.914493
H 2.021659 -4.785790 1.597334
H 3.387058 -4.514224 0.467473
H -0.637421 -4.377003 -1.145156
H -0.399268 -5.132351 0.464523
H 1.284662 -1.126967 1.949493
H 1.752920 -2.425136 3.086300
H -0.039517 -3.878681 2.367388
H -0.750058 -2.240645 2.436123
H 1.606577 -1.113727 -1.807966
H -2.850415 -1.226425 -2.045524
H 0.342792 0.865741 -2.806588
H -4.743609 0.473992 -2.433523
H 3.149041 2.532328 1.525435
H -1.930879 1.878802 1.985972
H 0.044448 3.677670 -2.285115
H -5.732890 2.860599 -1.186165
H 2.315974 4.878616 1.185621
H -3.412634 3.882227 2.310532
H 0.800517 5.430320 -0.673022
H -5.267203 4.354072 0.761827


%chk=000211168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211168

0 1
O 3.689034 -2.057658 -0.824019
O -2.083905 -2.773943 -1.386239
O 3.018800 0.206507 1.752737
O -1.422914 -0.308467 1.071174
N 2.103488 -2.424653 0.844121
N -0.745933 -3.098367 0.493245
N 3.456824 1.816792 -2.600823
N -5.621023 -0.548074 -0.918196
C 1.209858 -4.350997 -0.519114
C 2.199149 -3.880353 0.574435
C -0.266919 -4.388014 -0.071957
C 1.102853 -1.929801 1.821275
C -0.207984 -2.756478 1.831543
C 2.941681 -1.603468 0.110210
C -1.662483 -2.367841 -0.249308
C 3.040851 -0.112815 0.516940
C -2.176601 -1.025681 0.328152
C 3.225104 0.866907 -0.543980
C -3.524661 -0.606412 -0.029531
C 3.324233 2.315851 -0.371245
C -4.194522 0.603750 0.451943
C 3.466081 2.887013 -1.679784
C -5.510054 0.611782 -0.120209
C 3.315344 0.616361 -1.929079
C -4.445362 -1.272341 -0.868172
C 3.305331 3.173704 0.756887
C -3.808388 1.670308 1.302345
C 3.588115 4.273583 -1.900706
C -6.447383 1.634821 0.125423
C 3.426627 4.563316 0.546609
C -4.739390 2.699904 1.555090
C 3.566159 5.107806 -0.762475
C -6.041004 2.684586 0.976845
H 1.325849 -3.695197 -1.399955
H 1.492277 -5.374966 -0.835854
H 2.034366 -4.427468 1.522789
H 3.228935 -4.078439 0.233390
H -0.914856 -4.629919 -0.930133
H -0.403020 -5.166213 0.706266
H 0.843069 -0.890890 1.580395
H 1.526861 -1.939560 2.844825
H -0.057935 -3.715712 2.362647
H -0.944346 -2.170437 2.404004
H 3.317576 -0.343904 -2.438815
H -4.291393 -2.186889 -1.435139
H 3.553260 1.912586 -3.610386
H -6.440880 -0.805011 -1.465760
H 3.202011 2.750009 1.758886
H -2.806119 1.682478 1.737101
H 3.695933 4.693487 -2.906857
H -7.447756 1.624616 -0.321026
H 3.415313 5.241827 1.406763
H -4.456505 3.533090 2.207710
H 3.658597 6.192253 -0.888451
H -6.737639 3.501629 1.194358


