%chk=000230505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230505

0 1
O 0.231094 -0.050764 1.939525
N -0.234633 -1.816713 -1.009770
C 0.561587 -0.079056 0.528367
C -0.581193 -0.849008 -0.164685
C 0.592731 1.384417 0.105108
C 1.953564 -0.680383 0.356095
C -1.962343 -0.520287 0.112543
C -2.963800 -1.275767 -0.556907
C 0.321710 1.750377 -1.220270
C 2.495829 -0.876002 -0.922271
C 0.927800 2.365496 1.048998
C 2.723195 -0.988904 1.486644
C -2.369124 0.515497 1.009781
C -2.563611 -2.313444 -1.455089
C -4.344314 -0.983980 -0.321256
C -1.222431 -2.547155 -1.650829
C 0.383608 3.095286 -1.595891
C 3.784172 -1.399256 -1.065117
C 0.984899 3.708538 0.668201
C 4.011074 -1.511238 1.340387
C -3.700268 0.777993 1.218295
C -4.700605 0.019533 0.544491
C 0.713819 4.075059 -0.654031
C 4.542859 -1.720685 0.064445
H 0.062224 0.993561 -1.960065
H 1.910124 -0.633105 -1.809243
H 1.139099 2.070122 2.079247
H 2.324360 -0.806371 2.485104
H 0.103195 -0.964806 2.276775
H -1.596132 1.090550 1.533704
H -3.322424 -2.899551 -1.968561
H -5.098885 -1.571432 -0.841428
H -0.846716 -3.325301 -2.323854
H 0.173412 3.379144 -2.625600
H 4.195425 -1.556841 -2.060321
H 1.244163 4.469152 1.402528
H 4.600862 -1.751481 2.222647
H -4.010969 1.568417 1.900167
H -5.749117 0.251792 0.730385
H 0.761001 5.121243 -0.950109
H 5.544660 -2.129548 -0.049141


%chk=000230505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230505

0 1
O 0.227535 -0.114996 2.060251
N -0.244273 -1.941023 -0.869714
C 0.536161 -0.105992 0.604493
C -0.603775 -0.892809 -0.104169
C 0.567004 1.381357 0.191820
C 1.951142 -0.694316 0.365798
C -1.997533 -0.522499 0.100650
C -3.006361 -1.320868 -0.570229
C 0.241826 1.776488 -1.127961
C 2.472877 -0.845336 -0.944133
C 1.006434 2.358653 1.118088
C 2.781685 -1.011634 1.466784
C -2.431525 0.577752 0.914750
C -2.580252 -2.427528 -1.374693
C -4.393224 -0.994317 -0.414067
C -1.219791 -2.697224 -1.491228
C 0.352441 3.129612 -1.517735
C 3.782785 -1.324715 -1.145554
C 1.112139 3.711851 0.729483
C 4.095869 -1.496953 1.266596
C -3.790155 0.874307 1.045845
C -4.780263 0.086538 0.378534
C 0.788642 4.103521 -0.590879
C 4.601502 -1.659604 -0.040596
H -0.110050 1.032514 -1.852047
H 1.853979 -0.595883 -1.810126
H 1.254138 2.050924 2.138060
H 2.413411 -0.852755 2.485124
H 0.155154 -1.061228 2.347710
H -1.687830 1.175514 1.443135
H -3.320463 -3.050509 -1.888710
H -5.142244 -1.608595 -0.927552
H -0.850428 -3.535149 -2.091730
H 0.094526 3.422480 -2.541802
H 4.166033 -1.438721 -2.165969
H 1.450964 4.460022 1.455266
H 4.722380 -1.737766 2.133210
H -4.103141 1.719114 1.669021
H -5.841065 0.334736 0.494964
H 0.874129 5.153505 -0.892701
H 5.619520 -2.033368 -0.198988


