%chk=000293658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293658

0 1
O 2.923630 1.322218 0.976729
N 2.690278 -0.609731 -0.409337
N -1.581536 -0.079313 0.225917
C 4.143635 -0.708600 -0.694565
C 4.845529 0.653987 -0.423755
C 4.388675 1.254664 0.905705
C 4.741013 -1.813612 0.194870
C 4.288202 -1.079909 -2.179589
C 2.202974 0.316717 0.338526
C 4.820954 2.698759 1.101024
C 0.755220 0.518860 0.678155
C -0.173117 -0.320326 -0.213889
C -2.539133 -0.986046 -0.484578
C -3.956384 -0.510705 -0.275172
C -4.436859 -0.280462 1.023207
C -4.803950 -0.314113 -1.374705
C -5.753560 0.142589 1.217316
C -6.122582 0.105692 -1.174586
C -6.599385 0.334971 0.119420
H 4.619912 1.353425 -1.252207
H 5.942116 0.531614 -0.431279
H 4.681612 0.613230 1.767363
H 5.791307 -1.998646 -0.045896
H 4.673730 -1.566485 1.258956
H 4.196453 -2.757398 0.054991
H 3.828316 -0.328329 -2.831072
H 5.336849 -1.189419 -2.466891
H 3.776238 -2.028278 -2.391587
H 4.469809 3.340956 0.282832
H 4.390586 3.111540 2.024357
H 5.910242 2.789342 1.162064
H 0.510916 1.601202 0.609389
H 0.590610 0.254078 1.748588
H 0.008013 -0.084579 -1.285087
H 0.067418 -1.401506 -0.086856
H -1.840415 0.898252 0.046850
H -2.423291 -2.004778 -0.040840
H -2.313928 -1.094116 -1.569115
H -3.771783 -0.428133 1.875529
H -4.441460 -0.488058 -2.385498
H -6.122274 0.321755 2.225794
H -6.778553 0.254857 -2.030242
H -7.625327 0.662134 0.272764


%chk=000293658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293658

0 1
O 2.977612 1.524778 0.876355
N 2.651636 -0.546921 -0.364690
N -1.598117 0.187015 -0.105020
C 4.120397 -0.755808 -0.572674
C 4.919760 0.558986 -0.332712
C 4.454867 1.280050 0.945377
C 4.578161 -1.885064 0.387268
C 4.296389 -1.223203 -2.036447
C 2.207480 0.494694 0.269428
C 5.099118 2.647521 1.165068
C 0.733856 0.770405 0.477148
C -0.178489 -0.071131 -0.431322
C -2.558255 -0.617765 -0.891362
C -3.997114 -0.411222 -0.430107
C -4.300952 -0.279224 0.949298
C -5.057279 -0.377596 -1.369941
C -5.638121 -0.126559 1.378108
C -6.397298 -0.229233 -0.943042
C -6.692329 -0.103849 0.434013
H 4.768378 1.240421 -1.193146
H 6.002595 0.343928 -0.260541
H 4.620958 0.632782 1.830760
H 5.620033 -2.182464 0.165965
H 4.517579 -1.573111 1.445441
H 3.926108 -2.766605 0.260684
H 3.925006 -0.454404 -2.737537
H 5.361063 -1.421941 -2.260413
H 3.716814 -2.146786 -2.207729
H 4.920684 3.303606 0.295071
H 4.676367 3.135467 2.060041
H 6.189841 2.538437 1.307091
H 0.562381 1.854007 0.319632
H 0.474640 0.572127 1.535498
H 0.075841 0.134723 -1.499596
H 0.035146 -1.142314 -0.265181
H -1.828956 1.190078 -0.151805
H -2.274981 -1.682130 -0.751758
H -2.496476 -0.426390 -1.992314
H -3.473846 -0.290928 1.667144
H -4.833714 -0.467762 -2.440676
H -5.859709 -0.026768 2.447163
H -7.206539 -0.205620 -1.682056
H -7.729834 0.014071 0.767115


