%chk=000257198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257198

0 1
O -4.931982 -0.994265 -1.028013
O -4.651078 -1.763777 1.040308
O -1.648939 -1.947580 -0.022566
N -0.639682 0.133235 0.133178
N 1.682049 0.646508 0.206224
N 1.000973 -1.628777 -0.094252
C -3.092179 -0.003543 0.169599
C -3.328156 0.794488 -1.133436
C -3.168468 0.887701 1.425320
C -4.336180 -0.030475 -1.943666
C -4.247074 -1.031580 0.183071
C -1.742051 -0.729050 0.089949
C -2.934812 0.115690 2.718328
C 0.640331 -0.282134 0.077478
C 1.538681 2.063853 0.410052
C 2.319963 -2.154156 -0.310633
C 2.586321 2.703206 1.106441
C 2.700239 -3.296194 0.418587
C 0.466250 2.807051 -0.105733
C 3.189359 -1.581504 -1.254256
C 2.546297 4.086978 1.277651
C 3.961790 -3.852215 0.202335
C 0.445788 4.191303 0.082223
C 4.450585 -2.149924 -1.449993
C 1.479421 4.835230 0.768320
C 4.840697 -3.279179 -0.724068
H -3.723122 1.803353 -0.912846
H -2.390351 0.965175 -1.693440
H -4.157952 1.386104 1.459143
H -2.409526 1.695505 1.332461
H -5.186596 0.551852 -2.331502
H -3.874971 -0.626890 -2.748473
H -3.117341 0.748171 3.593890
H -1.906161 -0.256390 2.792124
H -3.602930 -0.757302 2.800308
H 2.630398 0.277966 0.347003
H 0.213570 -2.328196 -0.072175
H 3.416407 2.133290 1.516757
H 2.018255 -3.743644 1.141592
H -0.351141 2.314518 -0.636081
H 2.877797 -0.725942 -1.852493
H 3.352130 4.585863 1.816033
H 4.263060 -4.738875 0.761790
H -0.387140 4.772356 -0.313877
H 5.129903 -1.711827 -2.182093
H 1.453978 5.913702 0.908165
H 5.824492 -3.717480 -0.883835


%chk=000257198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257198

0 1
O -4.756822 -1.539666 -1.010257
O -4.639765 -1.747048 1.291239
O -1.642010 -1.952613 -0.119480
N -0.732790 0.228555 0.202990
N 1.592519 0.708551 0.337700
N 0.901850 -1.492793 -0.159768
C -3.181101 -0.058721 0.102699
C -3.502564 0.483389 -1.328441
C -3.352475 1.032988 1.195500
C -4.043653 -0.758486 -2.064653
C -4.226295 -1.204672 0.256430
C -1.767488 -0.676210 0.071095
C -2.976423 0.598829 2.627695
C 0.558517 -0.178898 0.115883
C 1.590470 2.111388 0.593529
C 2.198877 -2.051913 -0.370331
C 2.866187 2.715648 0.771848
C 2.501920 -3.297153 0.241198
C 0.419045 2.908588 0.671171
C 3.159785 -1.437239 -1.220694
C 2.970186 4.098430 1.020185
C 3.752442 -3.910040 0.016968
C 0.541161 4.292904 0.918435
C 4.415408 -2.051611 -1.423749
C 1.806207 4.898914 1.093778
C 4.719786 -3.286299 -0.805962
H -4.288573 1.257223 -1.250585
H -2.621684 0.928184 -1.819952
H -4.410041 1.363709 1.173286
H -2.734791 1.900810 0.896583
H -4.784448 -0.535259 -2.847375
H -3.239490 -1.397802 -2.468800
H -3.171358 1.423806 3.337061
H -1.903283 0.346620 2.693549
H -3.566312 -0.278381 2.940203
H 2.525437 0.283718 0.330940
H 0.041344 -2.102494 -0.174937
H 3.775304 2.101804 0.718610
H 1.757414 -3.770054 0.890755
H -0.550291 2.425469 0.543778
H 2.908663 -0.517919 -1.761792
H 3.959282 4.548905 1.157123
H 3.974136 -4.871910 0.491714
H -0.367748 4.902204 0.978612
H 5.146796 -1.573320 -2.084485
H 1.885553 5.973599 1.287923
H 5.692017 -3.761533 -0.972324


