%chk=000250405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250405

0 1
O -2.323203 1.581545 -1.751819
O -2.778053 -2.797583 -0.235954
O 2.935168 3.724148 2.830672
O 3.633804 3.872076 0.685491
N -2.012902 0.624430 0.303979
N -0.484177 -2.894180 -0.454889
C -2.435766 -0.374777 1.323764
C -1.473819 -1.574537 1.370029
C -0.814312 1.366269 0.591640
C -2.729154 0.787136 -0.928030
C -0.472113 1.637809 1.935881
C 0.035720 1.807187 -0.443746
C -1.672442 -2.467368 0.157374
C 1.545231 2.762182 1.200281
C 0.695984 2.333698 2.231747
C 1.201031 2.502038 -0.138240
C -3.970996 -0.020761 -1.124842
C -0.384630 -3.768230 -1.590582
C 2.798323 3.492198 1.476173
C 0.905688 -3.992728 -2.115512
C -1.504994 -4.392188 -2.162252
C 1.058121 -4.843291 -3.210423
C -1.327641 -5.239483 -3.258190
C -0.053479 -5.469306 -3.785149
C 4.136020 4.427092 3.281502
C 5.311717 3.472607 3.308918
H -2.471760 0.111595 2.328338
H -3.471194 -0.733298 1.117194
H -1.681926 -2.180909 2.279655
H -0.429321 -1.220354 1.486681
H -1.129694 1.329745 2.747489
H -0.228530 1.630814 -1.492658
H 0.958973 2.553814 3.271009
H 1.861747 2.849574 -0.939917
H 0.405508 -2.526717 -0.107389
H -3.793323 -1.113248 -1.060525
H -4.763563 0.231234 -0.408546
H -4.379661 0.166421 -2.133226
H 1.778040 -3.510423 -1.682371
H -2.507311 -4.217449 -1.759076
H 2.052641 -5.018773 -3.620627
H -2.196375 -5.724352 -3.704519
H 0.073935 -6.130288 -4.639289
H 3.816702 4.757788 4.286351
H 4.307501 5.292710 2.616451
H 6.189141 3.929889 3.780461
H 5.602277 3.175715 2.289278
H 5.073765 2.553628 3.858610


%chk=000250405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250405

0 1
O -2.838920 1.936290 -1.557694
O -2.844164 -2.688669 -0.430600
O 3.056066 3.404938 2.647765
O 3.529056 3.620294 0.369327
N -2.331114 0.663625 0.347230
N -0.498837 -2.764893 -0.303828
C -2.748144 -0.366903 1.335314
C -1.747019 -1.540874 1.432190
C -1.075382 1.331916 0.578331
C -3.161781 1.014241 -0.755281
C -0.630328 1.568145 1.910077
C -0.239041 1.733070 -0.502156
C -1.754624 -2.377364 0.143534
C 1.437783 2.585716 1.081206
C 0.607828 2.187505 2.159076
C 0.997175 2.350447 -0.247223
C -4.467073 0.243703 -0.934332
C -0.155824 -3.584557 -1.422193
C 2.756880 3.241992 1.287258
C 1.226846 -3.811919 -1.658132
C -1.125113 -4.167171 -2.281109
C 1.639304 -4.614826 -2.739993
C -0.694257 -4.970011 -3.359698
C 0.679644 -5.200831 -3.598485
C 4.364795 4.052903 2.960919
C 5.494574 3.018969 2.984197
H -2.887152 0.087246 2.333984
H -3.718416 -0.778841 1.029721
H -2.073637 -2.199348 2.261276
H -0.736476 -1.171845 1.684369
H -1.258453 1.289249 2.761465
H -0.567153 1.571929 -1.528950
H 0.936596 2.374905 3.184852
H 1.644437 2.658101 -1.074970
H 0.296091 -2.403375 0.229263
H -4.296424 -0.845008 -1.014523
H -5.173761 0.427424 -0.103670
H -4.925942 0.610253 -1.864178
H 1.978030 -3.358607 -0.997918
H -2.184768 -3.983460 -2.097313
H 2.708199 -4.780892 -2.912496
H -1.445411 -5.416916 -4.020461
H 0.999267 -5.824354 -4.440001
H 4.199026 4.507480 3.950989
H 4.557412 4.837073 2.207804
H 6.437666 3.504482 3.297447
H 5.647431 2.585757 1.981661
H 5.271805 2.206104 3.697146


