%chk=000222728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222728

0 1
O -0.270105 0.679209 0.412034
O -1.240481 2.271684 -0.874698
N -3.197093 -0.047471 0.314182
C 2.154633 0.453437 0.618983
C 3.221774 -0.147369 -0.389312
C 2.230262 -1.268065 -0.884730
C 0.969012 0.739851 -0.364862
C 1.754166 -0.797605 1.459676
C 0.998237 -0.448754 -1.356276
C 1.824535 -1.967125 0.442256
C 2.575030 1.652092 1.435060
C 4.483283 -0.690569 0.285249
C 3.668333 0.815021 -1.492977
C -1.330186 1.458678 0.011737
C -2.524563 1.150164 0.901211
C -4.677468 -0.020530 0.554376
C -2.564970 -1.313602 0.817830
C -5.330937 1.060190 -0.306391
C -2.916149 -2.472196 -0.114999
H 2.633052 -1.944560 -1.644192
H 1.024134 1.731571 -0.850483
H 0.742990 -0.680207 1.881355
H 2.437423 -0.946494 2.306918
H 1.096712 -0.112947 -2.398737
H 0.063699 -1.031951 -1.304417
H 2.564066 -2.724786 0.739508
H 0.859793 -2.487048 0.350048
H 3.428396 1.417555 2.082205
H 2.871228 2.494507 0.798541
H 1.756635 1.998679 2.078773
H 5.109824 0.126161 0.660975
H 4.268178 -1.343315 1.137031
H 5.084769 -1.272108 -0.421994
H 4.236526 1.653906 -1.075270
H 4.316925 0.305451 -2.214847
H 2.840446 1.244654 -2.064873
H -3.206152 2.033641 0.873567
H -2.194594 1.023494 1.955180
H -5.082695 -1.015996 0.258913
H -4.939348 0.124745 1.624216
H -1.455233 -1.167836 0.815475
H -2.854598 -1.555208 1.862002
H -5.074008 2.071508 0.028949
H -4.996603 0.981904 -1.351766
H -6.421418 0.968366 -0.294780
H -3.973544 -2.751441 -0.049346
H -2.721120 -2.202316 -1.162868
H -2.318197 -3.358572 0.120174


%chk=000222728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222728

0 1
O -0.290673 0.816481 0.676433
O -1.343812 2.281275 -0.808052
N -3.198756 -0.049741 0.640677
C 2.158609 0.334276 0.660445
C 3.143215 -0.066563 -0.525308
C 2.089532 -1.024543 -1.195819
C 0.947114 0.863515 -0.162224
C 1.756059 -1.068133 1.227600
C 0.862665 -0.086864 -1.400674
C 1.726639 -2.001567 -0.036653
C 2.676293 1.319615 1.711139
C 4.433982 -0.774557 -0.049455
C 3.583654 1.116044 -1.426600
C -1.384760 1.543676 0.203804
C -2.626021 1.255256 1.051097
C -4.621859 0.011732 0.230232
C -2.822416 -1.183393 1.520079
C -4.814265 0.704068 -1.133423
C -2.816243 -2.539961 0.789058
H 2.429500 -1.524911 -2.118788
H 1.079040 1.918242 -0.460397
H 0.780766 -1.018271 1.738382
H 2.500948 -1.405371 1.970715
H 0.909861 0.483175 -2.343355
H -0.089676 -0.646531 -1.400272
H 2.457961 -2.825282 0.047242
H 0.733502 -2.459713 -0.194740
H 3.558440 0.912520 2.238973
H 2.965578 2.285724 1.255856
H 1.898260 1.527330 2.468790
H 5.098401 -0.060196 0.472900
H 4.248846 -1.619509 0.633837
H 4.992292 -1.166153 -0.921012
H 4.181867 1.844204 -0.846617
H 4.224350 0.745325 -2.248871
H 2.744549 1.663458 -1.886352
H -3.347745 2.067763 0.862042
H -2.358799 1.272404 2.128652
H -4.994790 -1.025844 0.158214
H -5.249712 0.521437 1.004595
H -1.800271 -0.982973 1.887983
H -3.487285 -1.242894 2.419345
H -4.419091 1.735664 -1.127484
H -4.274784 0.148966 -1.920263
H -5.887609 0.749157 -1.397547
H -3.816352 -2.813312 0.406686
H -2.121420 -2.503323 -0.068617
H -2.490986 -3.343306 1.476355


