%chk=000224954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224954

0 1
O -1.865261 -0.558425 -1.862009
N -3.664928 0.067931 0.181394
C 1.057199 0.583671 -0.176054
C -1.375794 0.150642 -0.707077
C -2.241007 -0.227954 0.537359
C 0.059569 -0.283745 -0.545022
C 2.388045 0.077240 -0.027196
C 1.082808 2.061813 0.129075
C 2.568063 2.395346 0.490526
C 3.318630 1.093079 0.365397
C 2.746689 -1.257974 -0.246737
C 0.409096 -1.656376 -0.793612
C -1.726378 0.453870 1.807638
C 1.690144 -2.136451 -0.651139
C -4.011694 1.525462 0.239850
C -4.633767 -0.768429 0.963842
C 4.632422 0.755639 0.547718
C 4.127364 -1.584008 -0.047864
C 5.020453 -0.607567 0.333770
C -5.181029 1.813442 -0.703694
C -4.623024 -2.205511 0.440945
H -1.451579 1.237703 -0.937957
H -2.157378 -1.342629 0.670219
H 0.749583 2.649860 -0.744739
H 0.407878 2.313999 0.964158
H 2.645636 2.805971 1.511800
H 2.979036 3.159264 -0.192437
H -0.397820 -2.314220 -1.129563
H -0.713919 0.104697 2.053240
H -1.679141 1.542784 1.714781
H -2.364037 0.223802 2.668341
H 1.920826 -3.179954 -0.849852
H -4.257014 1.865693 1.268930
H -3.127782 2.117826 -0.087296
H -4.421985 -0.755294 2.054894
H -5.653495 -0.340688 0.832998
H 5.383292 1.480148 0.844056
H 4.451936 -2.609246 -0.205779
H -2.856408 -0.555449 -1.855490
H 6.070418 -0.860285 0.482965
H -4.965187 1.456605 -1.719679
H -6.101655 1.312978 -0.381997
H -5.384547 2.887501 -0.761121
H -4.810295 -2.234005 -0.640678
H -3.656088 -2.696067 0.608150
H -5.393976 -2.808388 0.931346


%chk=000224954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224954

0 1
O -2.019346 -0.212293 -1.796566
N -3.679212 0.070588 0.212573
C 1.143280 0.642966 -0.137811
C -1.359818 0.361937 -0.625197
C -2.237994 -0.019419 0.628991
C 0.061584 -0.163973 -0.509106
C 2.438894 0.059029 -0.020953
C 1.251061 2.137437 0.178650
C 2.779521 2.381114 0.490872
C 3.435819 1.008300 0.347245
C 2.714436 -1.322856 -0.258783
C 0.321045 -1.558864 -0.769914
C -1.858550 0.772061 1.898198
C 1.592960 -2.131677 -0.650234
C -4.235400 1.456505 0.189744
C -4.558057 -0.920608 0.900631
C 4.755665 0.577583 0.497421
C 4.077596 -1.741971 -0.096871
C 5.060318 -0.810203 0.273040
C -5.392233 1.613010 -0.815889
C -4.411096 -2.346915 0.336724
H -1.332502 1.472497 -0.711960
H -2.049419 -1.093328 0.817620
H 0.912552 2.753805 -0.676073
H 0.621133 2.422972 1.041903
H 2.920585 2.795390 1.506799
H 3.220264 3.111578 -0.213312
H -0.523703 -2.164939 -1.115733
H -0.808859 0.563154 2.170414
H -1.961995 1.862671 1.751387
H -2.492978 0.479912 2.755479
H 1.739038 -3.196379 -0.868352
H -4.566963 1.776661 1.204793
H -3.419694 2.139965 -0.109321
H -4.368508 -0.925022 2.000053
H -5.603816 -0.591599 0.765525
H 5.558091 1.269472 0.777802
H 4.350066 -2.790514 -0.266058
H -2.984544 -0.279191 -1.476935
H 6.097386 -1.145834 0.392427
H -5.051212 1.363177 -1.836057
H -6.249213 0.959506 -0.571417
H -5.759112 2.656126 -0.815983
H -4.661335 -2.364715 -0.738459
H -3.382511 -2.732910 0.450822
H -5.089325 -3.039904 0.868271


