%chk=000289596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289596

0 1
O 4.078704 1.030850 0.534641
O 0.435609 2.138607 -1.303576
O -2.079915 1.219879 1.690002
O 0.271451 0.475880 -2.824155
O -2.773314 2.316043 -0.163423
N 1.920891 -0.862753 0.266036
C 0.534945 -0.618658 0.389392
C -0.113529 -1.324269 1.568014
C -0.058944 -2.854957 1.446709
C 2.759494 -0.790877 1.501494
C 2.710798 -0.387624 -0.903412
C -0.442919 -3.411971 0.069200
C -1.920403 -3.235917 -0.311233
C -0.257054 0.069600 -0.484481
C 3.332851 0.624500 1.698109
C 3.283874 1.018025 -0.671891
C -2.152068 -2.135541 -1.364612
C -1.722768 0.106610 -0.332981
C -2.575678 -0.852212 -0.722406
C 0.162936 0.834220 -1.672625
C -2.246411 1.345983 0.321761
C 0.662611 3.095867 -2.372132
C -2.494858 2.348352 2.503606
H 0.366479 -1.005802 2.517958
H -1.172077 -0.993871 1.679574
H 0.968849 -3.200932 1.682655
H -0.715141 -3.293808 2.224403
H 2.183622 -1.105603 2.397848
H 3.589807 -1.524658 1.378695
H 3.550603 -1.113689 -1.033856
H 2.123316 -0.456157 -1.843557
H -0.194111 -4.492471 0.051766
H 0.206618 -2.955909 -0.706936
H -2.528449 -3.034026 0.591357
H -2.305328 -4.193912 -0.713076
H 2.542110 1.368805 1.898981
H 4.098992 0.659433 2.492979
H 4.020430 1.306153 -1.441964
H 2.493716 1.789761 -0.591043
H -2.923932 -2.464429 -2.089568
H -1.231619 -1.980974 -1.972368
H -3.652881 -0.743510 -0.568131
H 1.200902 3.906050 -1.871336
H -0.316009 3.427780 -2.735991
H 1.246894 2.646271 -3.181479
H -2.530858 1.925203 3.511548
H -3.474524 2.714403 2.177226
H -1.740810 3.136354 2.415177


%chk=000289596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289596

0 1
O 4.741533 -0.212894 0.298650
O -0.787229 2.151965 -1.685734
O -1.880561 2.180293 1.142648
O 1.374076 2.070864 -0.823207
O -3.888952 1.379011 0.284019
N 1.871313 -0.665108 0.397460
C 0.502382 -0.506932 0.557391
C -0.162908 -1.326864 1.664772
C -0.004539 -2.871069 1.570902
C 2.768695 -1.179528 1.458184
C 2.592673 -0.523953 -0.893608
C -0.217194 -3.514383 0.176825
C -1.620741 -3.372261 -0.478738
C -0.298478 0.355876 -0.221666
C 4.017502 -0.276199 1.572519
C 3.851158 0.349826 -0.741263
C -1.829168 -2.095736 -1.368416
C -1.784286 0.198646 -0.209508
C -2.445722 -0.905777 -0.677898
C 0.224234 1.547338 -0.901552
C -2.639867 1.277387 0.384487
C -0.433691 3.461323 -2.266286
C -2.645651 3.292886 1.745238
H 0.220432 -0.987642 2.649412
H -1.231310 -1.069546 1.667848
H 1.002397 -3.169202 1.923092
H -0.722185 -3.320523 2.286967
H 2.249619 -1.202937 2.428576
H 3.098813 -2.209371 1.205494
H 2.907839 -1.545088 -1.202566
H 1.925520 -0.111326 -1.660189
H -0.003217 -4.596134 0.294245
H 0.546467 -3.129540 -0.529669
H -2.409319 -3.426081 0.298664
H -1.773972 -4.254429 -1.130570
H 3.712307 0.743672 1.891012
H 4.730382 -0.697085 2.301761
H 4.447760 0.343773 -1.667931
H 3.552697 1.380680 -0.480594
H -2.504147 -2.373697 -2.202287
H -0.857138 -1.813919 -1.815438
H -3.538976 -0.913445 -0.556620
H -1.323274 3.763092 -2.838285
H 0.448501 3.371522 -2.923372
H -0.209134 4.190166 -1.468054
H -1.896197 3.888789 2.285454
H -3.416930 2.904106 2.432105
H -3.138613 3.889550 0.958623


