%chk=000250303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250303

0 1
O 1.864031 5.954176 0.000607
O -5.954268 -1.083268 0.001440
O 4.027300 -4.661415 0.003258
N 0.774228 1.278158 0.000980
N -1.270460 0.003453 0.000500
N 0.016531 2.413366 0.000783
N -1.955690 -1.180657 0.000369
N 2.198019 -1.104663 -0.000263
N 0.819059 -1.165486 0.000305
C -0.177776 4.807877 0.000372
C -4.014708 -2.397374 0.000557
C 0.489941 6.064979 0.000371
C -5.436785 -2.363280 0.000861
C 4.262113 -2.333601 -0.000386
C 4.906461 -3.602307 0.001175
C -1.578139 4.815004 0.000183
C -3.391488 -3.651560 0.000010
C -0.214143 7.272974 0.000200
C -6.201471 -3.533132 0.000624
C 5.074770 -1.192908 -0.002503
C 6.300677 -3.721763 0.000639
C -2.292770 6.018863 0.000001
C -4.148542 -4.829860 -0.000240
C -1.612977 7.237518 0.000012
C -5.541921 -4.768226 0.000066
C 6.470596 -1.299844 -0.003068
C 0.620053 3.575383 0.000565
C -3.263617 -1.134722 0.000835
C 7.075879 -2.557486 -0.001503
C 2.792832 -2.271553 0.000240
C 0.147687 -0.018979 0.000522
C 2.645744 7.173580 0.000357
C -7.394236 -0.933819 0.001554
C 4.572740 -6.003088 0.004681
H -2.117247 3.865009 0.000181
H -2.296718 -3.703578 -0.000225
H 0.300802 8.227644 0.000230
H -7.285099 -3.501455 0.000879
H 4.605185 -0.206110 -0.003739
H 6.784387 -4.692181 0.001863
H -3.380152 5.999800 -0.000147
H -3.642764 -5.792623 -0.000672
H -2.171674 8.173622 -0.000125
H -6.128615 -5.686577 -0.000127
H 7.080435 -0.400054 -0.004733
H 1.712996 3.731532 0.000322
H -3.886483 -0.224686 0.001486
H 8.162908 -2.638921 -0.001945
H 2.276392 -3.249974 0.001220
H 1.804820 1.298896 0.000450
H -1.745271 0.918547 0.001425
H 2.447578 7.751595 -0.906873
H 2.447619 7.751903 0.907402
H 3.670855 6.780128 0.000400
H -7.821552 -1.371594 -0.905240
H -7.821434 -1.372069 0.908175
H -7.505611 0.158079 0.001845
H 5.158101 -6.176447 -0.902665
H 5.159067 -6.174097 0.911851
H 3.658605 -6.612127 0.005956


%chk=000250303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250303

0 1
O 2.009160 5.629591 0.000026
O -6.147993 -0.886655 0.000859
O 4.396518 -4.563648 0.001473
N 0.676138 0.964995 0.000383
N -1.325340 -0.242299 0.000619
N -0.069053 2.119904 0.000276
N -2.085249 -1.389423 0.000747
N 2.151322 -1.145810 0.000507
N 0.756521 -1.430566 0.000655
C -0.134737 4.547929 0.000012
C -4.279475 -2.397035 0.000909
C 0.610844 5.771940 -0.000049
C -5.699790 -2.221217 0.000942
C 4.361744 -2.161458 0.000483
C 5.134890 -3.369618 0.000872
C -1.554013 4.630967 -0.000053
C -3.764901 -3.722482 0.000994
C -0.049419 7.022735 -0.000169
C -6.566772 -3.339107 0.001055
C 5.064146 -0.924517 -0.000103
C 6.549636 -3.326090 0.000670
C -2.216338 5.873552 -0.000173
C -4.623932 -4.838106 0.001107
C -1.461461 7.070113 -0.000230
C -6.025563 -4.644488 0.001137
C 6.471272 -0.874874 -0.000294
C 0.580578 3.271908 0.000133
C -3.396640 -1.227998 0.000787
C 7.213863 -2.079177 0.000091
C 2.899697 -2.234964 0.000662
C 0.058523 -0.286880 0.000554
C 2.823202 6.847057 -0.000086
C -7.592548 -0.651613 0.000833
C 5.134699 -5.827595 0.001807
H -2.121352 3.695047 -0.000014
H -2.676583 -3.840989 0.000968
H 0.520890 7.956046 -0.000212
H -7.652498 -3.206124 0.001082
H 4.470300 -0.004952 -0.000421
H 7.137113 -4.248868 0.000960
H -3.310490 5.913109 -0.000224
H -4.208012 -5.850907 0.001172
H -1.967381 8.041812 -0.000324
H -6.702051 -5.506472 0.001224
H 6.988599 0.090351 -0.000753
H 1.681539 3.317691 0.000115
H -3.879118 -0.234447 0.000724
H 8.309277 -2.052785 -0.000062
H 2.427833 -3.227570 0.000923
H 1.709796 0.909056 0.000338
H -1.731929 0.708550 0.000532
H 2.634728 7.455825 -0.905356
H 2.634724 7.455992 0.905070
H 3.865084 6.494898 -0.000049
H -8.069462 -1.075883 -0.904015
H -8.069463 -1.075705 0.905766
H -7.705708 0.442569 0.000726
H 5.764968 -5.925994 -0.903394
H 5.765271 -5.925337 0.906869
H 4.361192 -6.609385 0.002221


