%chk=000179608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179608

0 1
O 0.154219 1.810071 1.566010
O 0.989290 0.335371 -1.570044
O -1.682717 0.064550 1.833934
N 2.134786 0.525064 0.433030
N -1.459542 -0.798523 -0.300288
C -0.232574 1.271375 0.296500
C -0.926301 2.246073 -0.660248
C -2.277986 2.732221 -0.125290
C -2.810047 3.917064 -0.941621
C 1.029797 0.667569 -0.395768
C -1.201628 0.122198 0.727147
C -4.167583 4.385779 -0.424168
C 0.603645 3.182263 1.596690
C 3.416295 0.002498 0.053455
C -2.324196 -1.938470 -0.202003
C 4.389930 -0.108384 1.068283
C -2.424776 -2.764767 -1.341983
C 3.711754 -0.379133 -1.265174
C -3.052805 -2.237979 0.960852
C 5.654540 -0.601295 0.747287
C -3.257767 -3.882280 -1.303181
C 4.985029 -0.869775 -1.562419
C -3.880257 -3.362668 0.975720
C 5.957807 -0.981977 -0.564807
C -3.988169 -4.186031 -0.148783
H -0.258705 3.105829 -0.870391
H -1.061438 1.754855 -1.650114
H -3.015170 1.903694 -0.142428
H -2.187162 3.012340 0.944842
H -2.088593 4.756679 -0.909717
H -2.896216 3.632017 -2.009110
H -4.920070 3.590189 -0.484231
H -4.115275 4.703687 0.623656
H -4.542766 5.234737 -1.006791
H 2.021067 0.789372 1.425896
H -0.980882 -0.680478 -1.207841
H 1.433347 3.344907 0.904980
H -0.232015 3.860830 1.395076
H 0.928071 3.278894 2.642419
H 4.165074 0.179032 2.092506
H -1.859345 -2.541622 -2.243786
H 2.954002 -0.298322 -2.051261
H -2.973661 -1.602244 1.848232
H 6.410649 -0.690998 1.527208
H -3.338047 -4.523438 -2.180724
H 5.217401 -1.168106 -2.585129
H -4.446030 -3.597047 1.877689
H 6.946379 -1.365740 -0.806177
H -4.635160 -5.059284 -0.126930


%chk=000179608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179608

0 1
O 0.291715 1.904258 1.589438
O 0.898318 0.214135 -1.611061
O -1.657397 0.096834 1.967769
N 2.164925 0.547552 0.354328
N -1.418112 -0.785187 -0.202894
C -0.180754 1.278240 0.343685
C -0.962176 2.239336 -0.596163
C -2.307292 2.730026 -0.016688
C -2.949250 3.829270 -0.893346
C 1.028972 0.642023 -0.413842
C -1.154064 0.121565 0.813726
C -4.318527 4.294506 -0.353451
C 0.786310 3.286799 1.481553
C 3.434406 -0.005505 0.024869
C -2.310115 -1.895514 -0.185227
C 4.421995 -0.019155 1.046337
C -2.373917 -2.690957 -1.362043
C 3.738516 -0.524602 -1.261706
C -3.122592 -2.224760 0.933297
C 5.702201 -0.547138 0.786010
C -3.240425 -3.800155 -1.422962
C 5.026255 -1.048716 -1.505781
C -3.985733 -3.339398 0.854481
C 6.013056 -1.064977 -0.493430
C -4.054225 -4.132016 -0.313979
H -0.315923 3.105276 -0.841458
H -1.126983 1.710597 -1.552563
H -3.008451 1.877061 0.069957
H -2.164743 3.106577 1.015508
H -2.260982 4.697557 -0.959050
H -3.068322 3.449503 -1.928793
H -5.034719 3.452604 -0.315155
H -4.224560 4.699085 0.671867
H -4.757408 5.083756 -0.990828
H 2.023201 0.900591 1.312711
H -0.869292 -0.655181 -1.067427
H 1.590226 3.390007 0.723893
H -0.030553 3.993841 1.251704
H 1.188114 3.514480 2.481354
H 4.184063 0.376972 2.041709
H -1.742468 -2.439181 -2.223587
H 2.973241 -0.513663 -2.040044
H -3.064586 -1.616854 1.837706
H 6.455100 -0.555436 1.581625
H -3.279005 -4.405368 -2.335471
H 5.257313 -1.449123 -2.499190
H -4.609479 -3.589034 1.720336
H 7.007923 -1.475426 -0.695864
H -4.727599 -4.994506 -0.360856


