%chk=000253584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253584

0 1
O -0.443634 -0.313533 2.220627
O 3.433576 4.800720 -0.072142
O 3.225073 -4.789318 -0.299836
N -1.735965 1.257016 0.321908
C -0.417800 0.645552 0.020270
C 0.616612 1.749275 -0.030945
C -0.016887 -0.406573 1.089008
C -2.913753 0.492823 0.059181
C 0.866636 -1.515096 0.659092
C 0.981713 2.291329 -1.268621
C 1.185869 2.262889 1.151287
C -4.086701 0.799167 0.787287
C -2.968600 -0.465057 -0.970514
C 1.927794 3.318224 -1.350761
C 2.126210 3.282029 1.096865
C 2.490854 3.802387 -0.164225
C 1.800493 -1.374836 -0.375891
C 0.771353 -2.742741 1.352208
C -5.343412 -0.789850 -0.558898
C -5.283699 0.164921 0.472122
C -4.176892 -1.095470 -1.272014
C 2.625320 -2.438959 -0.744295
C 1.571462 -3.818137 1.000095
C 2.498192 -3.653791 -0.054137
C -6.639391 -1.463433 -0.876997
C 3.861776 5.444395 -1.296563
C 4.221790 -4.751364 -1.351937
H -0.485621 0.132818 -0.980373
H -1.734034 1.710540 1.244042
H 0.519322 1.921316 -2.184781
H 0.884902 1.856795 2.121479
H -4.057008 1.532091 1.590173
H -2.076459 -0.711724 -1.541286
H 2.199147 3.726825 -2.317732
H 2.581289 3.690195 1.997036
H 1.903373 -0.419816 -0.897813
H 0.054396 -2.831898 2.175395
H -6.184378 0.408530 1.034207
H -4.206306 -1.833434 -2.072196
H 3.347463 -2.313297 -1.543338
H 1.508699 -4.774663 1.514997
H -7.024741 -2.014407 -0.007617
H -7.406256 -0.732318 -1.168780
H -6.550732 -2.182877 -1.700457
H 3.015005 5.935751 -1.784427
H 4.351327 4.721591 -1.954914
H 4.581000 6.183978 -0.920089
H 4.993888 -4.013206 -1.116816
H 3.747040 -4.557129 -2.317750
H 4.627296 -5.771433 -1.310532


%chk=000253584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253584

0 1
O -0.563249 -0.460438 2.175431
O 3.472139 4.873596 0.128749
O 3.499483 -4.789868 -0.274573
N -1.753061 1.197794 0.240048
C -0.433535 0.622911 -0.015497
C 0.631669 1.725434 -0.000855
C -0.061641 -0.498197 1.013207
C -2.955543 0.514439 -0.004484
C 0.883770 -1.579569 0.609546
C 1.014107 2.360801 -1.204908
C 1.214630 2.171705 1.216047
C -4.191792 1.126223 0.357939
C -3.002494 -0.757734 -0.640880
C 1.958427 3.411320 -1.216408
C 2.151906 3.219955 1.224155
C 2.528773 3.842955 0.007876
C 1.611907 -1.564180 -0.609634
C 1.071462 -2.680427 1.497430
C -5.474884 -0.775306 -0.555158
C -5.416496 0.490050 0.090321
C -4.243868 -1.376198 -0.910365
C 2.497694 -2.608218 -0.944659
C 1.940980 -3.728547 1.176531
C 2.659328 -3.697902 -0.049893
C -6.805969 -1.452326 -0.837652
C 3.890273 5.559378 -1.096349
C 4.273558 -4.818334 -1.520887
H -0.453026 0.173642 -1.027447
H -1.780999 1.965869 0.911247
H 0.556466 2.043161 -2.149968
H 0.936351 1.691148 2.160695
H -4.181052 2.106835 0.850844
H -2.080834 -1.284048 -0.910657
H 2.230787 3.882013 -2.165727
H 2.607823 3.570283 2.155057
H 1.517568 -0.719754 -1.299745
H 0.511197 -2.682817 2.438009
H -6.349671 0.986371 0.386755
H -4.248581 -2.358839 -1.399012
H 3.052614 -2.563252 -1.886171
H 2.087553 -4.580744 1.846650
H -7.367645 -1.652119 0.095267
H -7.455246 -0.825110 -1.478529
H -6.662790 -2.418424 -1.352787
H 3.033675 6.054866 -1.593518
H 4.377111 4.860166 -1.804003
H 4.615979 6.317162 -0.766857
H 4.964471 -3.955912 -1.581996
H 3.607838 -4.829205 -2.405050
H 4.849441 -5.753812 -1.477530


