%chk=000224557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224557

0 1
O -1.118368 -2.489902 -1.041683
O 1.762966 3.232973 0.053023
N -2.634731 -0.719464 0.699456
N 3.722159 -1.960123 -0.167125
C -1.185030 -1.021630 0.908764
C -2.870794 0.755853 0.559440
C -0.565017 -1.279737 -0.486949
C -4.175980 0.983775 -0.222246
C -3.493048 -1.318369 1.774886
C 0.927342 -1.506371 -0.382580
C -4.424840 2.478603 -0.458780
C 1.817282 -0.384637 -0.217474
C -3.632667 -2.824061 1.548152
C 1.450346 -2.774228 -0.442847
C 3.211283 -0.666440 -0.108591
C -5.720681 2.715840 -1.230807
C 1.384121 0.966391 -0.160449
C 2.868095 -2.962020 -0.332737
C 4.148893 0.404976 0.065107
C 2.320531 1.972966 0.007694
C 3.717327 1.705122 0.125142
C 2.649349 4.368830 0.192350
H -1.061668 -1.941799 1.522948
H -0.628964 -0.222476 1.440970
H -2.024366 1.205414 -0.005071
H -2.907133 1.280867 1.537590
H -0.799999 -0.458785 -1.205205
H -4.127312 0.443681 -1.188950
H -5.031095 0.534974 0.319549
H -4.500847 -0.845982 1.721396
H -3.104262 -1.117176 2.796277
H -3.574444 2.920074 -1.015390
H -4.464137 3.014949 0.509524
H -4.276773 -3.277510 2.308864
H -2.663886 -3.338187 1.581051
H -4.073685 -3.037384 0.565998
H 0.796419 -3.638932 -0.585858
H -2.103110 -2.458598 -0.949170
H -5.890294 3.784965 -1.401123
H -5.700731 2.227091 -2.212008
H -6.591148 2.327177 -0.690240
H 0.331936 1.221213 -0.258792
H 3.285989 -3.975093 -0.384007
H 5.209183 0.150713 0.146202
H 4.424648 2.518739 0.257198
H 1.939169 5.206705 0.183952
H 3.331366 4.427807 -0.660680
H 3.184606 4.320205 1.144728


%chk=000224557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224557

0 1
O -1.431353 -1.753776 -1.225482
O 2.514718 3.321811 0.414075
N -2.675820 -0.531296 0.759712
N 3.567564 -2.156483 -0.397434
C -1.190683 -0.522263 0.859163
C -3.244218 0.802339 0.399268
C -0.599940 -0.745336 -0.581397
C -4.572092 0.708857 -0.380707
C -3.354723 -1.172949 1.924870
C 0.848959 -1.199157 -0.537031
C -5.138227 2.101152 -0.744321
C 1.923698 -0.273960 -0.252336
C -3.236340 -2.708034 1.917690
C 1.172297 -2.540857 -0.756014
C 3.272082 -0.813117 -0.191905
C -6.460058 2.015914 -1.537327
C 1.733716 1.125188 -0.040006
C 2.533276 -2.973459 -0.674646
C 4.360112 0.070120 0.086828
C 2.824414 1.963786 0.227562
C 4.154728 1.434801 0.295796
C 3.619729 4.248120 0.674178
H -0.875074 -1.369830 1.491222
H -0.795141 0.410436 1.313918
H -2.502435 1.324551 -0.235105
H -3.383055 1.432230 1.310860
H -0.668934 0.210022 -1.149024
H -4.400768 0.119338 -1.302755
H -5.328350 0.155836 0.212346
H -4.423481 -0.896907 1.877450
H -2.961669 -0.763084 2.885460
H -4.386022 2.658659 -1.339052
H -5.299036 2.687534 0.183631
H -3.759559 -3.134094 2.793445
H -2.184716 -3.042987 1.960155
H -3.687181 -3.127323 1.001121
H 0.372466 -3.242604 -1.004993
H -2.324876 -1.612682 -0.761114
H -6.845767 3.020940 -1.788114
H -6.318773 1.461821 -2.483986
H -7.239921 1.490500 -0.954378
H 0.741157 1.581458 -0.095643
H 2.783045 -4.027832 -0.844324
H 5.362033 -0.368228 0.125892
H 5.007703 2.087426 0.503852
H 3.145260 5.235155 0.776670
H 4.338208 4.266856 -0.168039
H 4.151049 3.992408 1.611468


