%chk=000260474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260474

0 1
O -2.601621 -0.354913 1.346158
O -2.209008 -0.928136 -2.086330
O -3.136095 1.332180 -1.676116
O -5.440232 1.755839 0.879660
O -0.392663 -3.532582 1.070478
O 4.755678 1.782713 0.646459
N -0.774179 -1.356677 0.220196
N 1.407855 -2.100909 0.524242
N -0.211301 0.972301 -0.517686
N 2.183898 1.423440 -0.624443
N 3.842551 -0.226012 -0.052292
C -2.249109 -1.343585 0.388661
C -3.024111 -1.019121 -0.925552
C -3.611979 0.409992 -0.724786
C -3.180064 0.826386 0.705704
C -4.349829 1.211056 1.625465
C 0.085159 -0.280298 -0.091809
C 0.036107 -2.467540 0.704588
C 1.442232 -0.735308 0.113616
C 2.491536 0.158314 -0.177760
C 0.879174 1.773025 -0.758022
C 4.935342 0.683034 0.197100
C 6.268919 0.063483 -0.099674
H -2.539659 -2.319380 0.862756
H -3.815061 -1.778658 -1.105193
H -4.720553 0.439704 -0.860791
H -2.377665 1.595354 0.675914
H -4.791790 0.315080 2.108908
H -4.036448 1.926091 2.405937
H -1.662541 -1.738272 -2.192428
H -2.160952 1.189072 -1.849407
H 2.129775 -2.476055 1.130650
H -5.167916 2.583716 0.424378
H 0.670117 2.800536 -1.108150
H 4.042657 -1.211533 -0.236422
H 6.490757 -0.802974 0.537303
H 7.071119 0.801633 0.081247
H 6.363801 -0.251398 -1.148959


%chk=000260474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260474

0 1
O -2.483491 0.167236 1.442370
O -2.098116 -1.082984 -1.933978
O -2.560937 1.607197 -1.449749
O -5.984973 1.441170 0.792641
O -0.403191 -3.164304 1.592511
O 4.926106 1.609761 0.608019
N -0.666758 -1.055702 0.457822
N 1.428236 -1.858591 0.762682
N -0.038053 1.048210 -0.691123
N 2.362879 1.337880 -0.999112
N 3.960571 -0.323137 -0.306785
C -2.123525 -0.976897 0.596747
C -2.907633 -0.806201 -0.758847
C -3.414955 0.679479 -0.758971
C -3.537284 0.982126 0.755202
C -4.906377 0.633420 1.376882
C 0.221681 -0.134956 -0.098155
C 0.066797 -2.156745 1.016259
C 1.547607 -0.636129 0.092066
C 2.619937 0.134115 -0.392037
C 1.074547 1.740161 -1.107516
C 5.063417 0.478557 0.085631
C 6.419673 -0.164852 -0.188672
H -2.396970 -1.910918 1.121658
H -3.789158 -1.477017 -0.715058
H -4.400776 0.753990 -1.246382
H -3.280584 2.040591 0.939935
H -5.190081 -0.410204 1.155639
H -4.849682 0.752938 2.477606
H -2.149377 -2.046801 -2.151896
H -1.585283 1.453225 -1.179720
H 2.179074 -2.439637 1.129895
H -5.823816 2.397370 0.995835
H 0.893850 2.704053 -1.588990
H 4.155966 -1.276576 -0.621169
H 6.387531 -1.269107 -0.204978
H 7.136234 0.166821 0.578019
H 6.790816 0.182057 -1.170681


