%chk=000273870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273870

0 1
O -0.375802 -3.980543 -1.414096
O 1.826966 2.942263 1.455194
O -1.024034 -4.541760 0.653522
O -0.191064 3.464017 2.264019
O 4.572279 0.013530 -2.067102
O -4.654406 0.160359 -1.942571
N 2.433607 -0.425240 -0.385260
N -2.588556 -0.098514 -0.152864
N 2.923527 0.839804 -0.583682
N -2.971978 1.143957 -0.595257
N 4.442416 2.280112 -1.703759
N -4.446772 2.450103 -1.925158
C -0.334084 -2.213510 0.160264
C 0.187565 1.227616 1.273885
C 1.122180 -2.120305 0.655355
C -1.378826 -1.677218 1.158416
C 1.256481 0.221503 1.741018
C -1.220602 0.830221 1.748238
C 1.652591 -0.708070 0.619167
C -1.781876 -0.251835 0.857743
C -0.631821 -3.683267 -0.100760
C 0.509809 2.631194 1.747113
C 4.021706 0.936570 -1.514688
C -4.075787 1.137841 -1.532882
H -0.421976 -1.661165 -0.818435
H 0.185767 1.269653 0.144580
H 1.765822 -2.771189 0.010077
H 1.218695 -2.535364 1.679548
H -1.004886 -1.767610 2.197411
H -2.291246 -2.324094 1.134180
H 0.886903 -0.359248 2.611884
H 2.159194 0.745714 2.128795
H -1.887247 1.721131 1.777283
H -1.198474 0.487859 2.805103
H -0.562069 -4.932212 -1.641917
H 2.079864 3.859041 1.750532
H 2.819621 1.572373 0.141988
H -2.860826 1.966386 0.016934
H 5.090752 2.422759 -2.472717
H 3.794440 3.042805 -1.582819
H -5.092810 2.499140 -2.708029
H -3.775445 3.202294 -1.916353


%chk=000273870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273870

0 1
O -0.052905 -4.636956 -0.732172
O 1.861108 3.039610 1.515959
O -1.539772 -4.579403 1.044305
O 0.087141 3.130142 3.018399
O 3.710267 0.549216 -2.806321
O -3.770250 0.344572 -2.645360
N 2.143565 -0.407302 -0.658224
N -2.372420 -0.117052 -0.254247
N 2.627764 0.888706 -0.717400
N -2.674955 1.152245 -0.704395
N 3.725999 2.647782 -1.780345
N -3.694370 2.633751 -2.204864
C -0.503028 -2.466957 0.232680
C 0.229217 1.269880 1.364021
C 1.034748 -2.234485 0.455124
C -1.435975 -1.738789 1.241810
C 1.283178 0.123001 1.630403
C -1.206460 0.838900 1.769987
C 1.491936 -0.789132 0.425641
C -1.708144 -0.285415 0.870860
C -0.778399 -3.967486 0.261426
C 0.651410 2.543614 2.075745
C 3.381548 1.294526 -1.852965
C -3.413397 1.296911 -1.911979
H -0.754395 -2.114113 -0.786540
H 0.247040 1.498659 0.279077
H 1.575836 -2.775376 -0.338276
H 1.316496 -2.684279 1.429721
H -1.016161 -1.802389 2.262290
H -2.395439 -2.285687 1.268705
H 0.951442 -0.464474 2.502548
H 2.256622 0.576536 1.908848
H -1.877006 1.721823 1.745039
H -1.198962 0.506823 2.822814
H -0.270125 -5.608046 -0.701435
H 2.152568 3.847540 2.019596
H 2.532203 1.550008 0.068034
H -2.438079 1.988757 -0.154164
H 4.284865 3.018501 -2.544373
H 3.376023 3.280564 -1.063065
H -4.206836 2.808966 -3.065435
H -3.434301 3.423408 -1.617572


