%chk=000180133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180133

0 1
O -4.744813 -0.812973 0.000080
O -5.030097 1.472536 -0.001395
O 7.795464 0.214939 -1.081276
O 7.794777 0.222805 1.081918
N -6.837061 -0.049559 -0.001063
N 0.837726 -0.840345 0.001973
N 1.547989 0.178263 -0.001505
N 7.230040 0.198509 0.000216
C -3.350893 -0.675586 0.000306
C -0.602374 -0.671755 0.001057
C 2.985172 0.044959 -0.000576
C -2.683103 -0.668250 -1.230112
C -2.683781 -0.661998 1.231042
C -1.288386 -0.667878 -1.226495
C -1.289065 -0.661633 1.228198
C -8.019028 0.862183 -0.002218
C 5.754820 0.144812 -0.000058
C 3.675501 0.061454 -1.227394
C 3.674741 0.069826 1.226530
C 5.066432 0.114203 -1.224857
C 5.065673 0.122571 1.224497
C -7.663602 2.339026 -0.002511
C -5.527252 0.372929 -0.000909
H -3.247369 -0.662103 -2.161576
H -3.248555 -0.651061 2.162157
H -0.737361 -0.663801 -2.166887
H -0.738558 -0.652780 2.168862
H -8.629514 0.614519 -0.903838
H -8.630697 0.615174 0.898784
H 3.126597 0.036787 -2.169455
H 3.125251 0.051580 2.168395
H 5.630471 0.129302 -2.165410
H 5.629129 0.144108 2.165273
H -7.031733 -1.051202 -0.000588
H -7.060120 2.622035 0.873649
H -7.058785 2.621375 -0.877973
H -8.564637 2.962529 -0.003440


%chk=000180133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180133

0 1
O -4.563415 0.198051 -0.578074
O -5.373775 1.869096 0.940364
O 8.112888 -1.141905 -0.491660
O 7.921863 0.542268 1.036909
N -6.779657 0.582311 -0.436547
N 1.026705 0.399711 0.165408
N 1.753197 -0.446260 -0.528011
N 7.413842 -0.304930 0.202835
C -3.179395 0.317304 -0.330416
C -0.374529 0.308778 -0.059150
C 3.160263 -0.339242 -0.283605
C -2.397724 -0.601461 -1.084473
C -2.573376 1.238129 0.561434
C -1.005258 -0.609403 -0.952865
C -1.171489 1.219691 0.684779
C -8.061627 1.141136 0.027713
C 5.942906 -0.317274 0.033058
C 3.970565 -1.242133 -1.024936
C 3.764797 0.581168 0.623419
C 5.367609 -1.237519 -0.872004
C 5.157764 0.592990 0.783199
C -8.879110 0.138533 0.868212
C -5.576083 0.986849 0.075678
H -2.911110 -1.291676 -1.760505
H -3.184158 1.935953 1.133944
H -0.383174 -1.306744 -1.521006
H -0.664851 1.913526 1.363295
H -7.820488 2.036320 0.625028
H -8.645185 1.471499 -0.852459
H 3.476490 -1.935104 -1.712609
H 3.121230 1.266109 1.182244
H 6.014441 -1.920098 -1.428480
H 5.654774 1.283453 1.469760
H -6.769405 -0.170772 -1.126160
H -9.126546 -0.770147 0.289064
H -8.317673 -0.165444 1.768412
H -9.828304 0.602734 1.191608


