%chk=000258255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258255

0 1
O 2.658091 1.394014 3.001145
O -2.657857 1.383838 -3.004490
O 7.789265 0.221742 -0.458846
O -7.790337 0.220672 0.456742
N 1.167021 -0.672391 0.863782
N -1.166928 -0.675357 -0.860757
C 0.317456 0.555541 0.700515
C 0.312908 -1.898010 0.708449
C -0.317066 0.552983 -0.702093
C -0.313112 -1.900594 -0.700801
C 1.839105 -0.681426 2.200118
C -1.839054 -0.689232 -2.197038
C 2.874807 0.448663 2.268402
C -2.874810 0.440579 -2.269138
C 4.132947 0.323697 1.499576
C -4.133254 0.317663 -1.500476
C 4.261324 -0.516182 0.385258
C -4.261657 -0.518363 -0.383273
C 5.231369 1.117302 1.904696
C -5.231894 1.109294 -1.908831
C 5.466586 -0.593455 -0.316963
C -5.467169 -0.593797 0.318712
C 6.439752 1.053714 1.230659
C -6.440535 1.047425 -1.235093
C 6.544921 0.190341 0.116067
C -6.545729 0.187909 -0.117528
C 8.026035 -0.605434 -1.625429
C -8.027172 -0.602518 1.626127
H 0.968790 1.451609 0.807724
H -0.475555 0.638554 1.475876
H -0.490188 -1.964485 1.474965
H 0.957666 -2.794766 0.823788
H -0.968186 1.448798 -0.812685
H 0.475971 0.632888 -1.477756
H 0.489968 -1.970169 -1.467059
H -0.958085 -2.797628 -0.812744
H 2.352859 -1.656838 2.344113
H 1.134822 -0.563201 3.055447
H -1.134855 -0.573948 -3.052835
H -2.352714 -1.665192 -2.337569
H 3.406725 -1.110888 0.044460
H -3.406876 -1.111403 -0.040040
H 5.110187 1.787786 2.762564
H -5.110692 1.776857 -2.768965
H 5.548049 -1.244513 -1.179681
H -5.548655 -1.241846 1.183690
H 7.298249 1.650746 1.529631
H -7.299215 1.642955 -1.536523
H 7.908140 -1.662438 -1.371128
H 7.366723 -0.303827 -2.444426
H 9.073578 -0.369955 -1.856609
H -7.908599 -1.660348 1.375606
H -9.074942 -0.366791 1.856021
H -7.368381 -0.297672 2.444344


%chk=000258255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258255

0 1
O 2.461533 0.489576 3.706352
O -2.465449 0.469512 -3.711099
O 7.126896 1.249422 -0.631481
O -7.127269 1.248782 0.627058
N 1.080575 -1.319901 0.968068
N -1.081197 -1.325068 -0.963549
C 0.268041 -0.100545 0.718873
C 0.270934 -2.540215 0.723814
C -0.270339 -0.103659 -0.719016
C -0.269912 -2.543347 -0.714574
C 1.689043 -1.333196 2.320433
C -1.689501 -1.344593 -2.315907
C 2.639420 -0.154739 2.625550
C -2.641399 -0.168762 -2.626394
C 3.774451 0.168558 1.714609
C -3.775982 0.158335 -1.716254
C 4.031164 -0.540472 0.510411
C -4.030271 -0.543634 -0.507413
C 4.659198 1.225700 2.087228
C -4.662742 1.211837 -2.094400
C 5.137307 -0.215808 -0.300735
C -5.135924 -0.215535 0.303015
C 5.759196 1.559975 1.290368
C -5.762339 1.549389 -1.298363
C 6.004638 0.837505 0.089968
C -6.005276 0.834048 -0.093193
C 7.434023 0.550446 -1.884692
C -7.431620 0.557370 1.885134
H 0.904592 0.790138 0.867437
H -0.590083 -0.033170 1.432590
H -0.591487 -2.606652 1.434571
H 0.910423 -3.429924 0.878815
H -0.908153 0.785548 -0.870989
H 0.587711 -0.037766 -1.432952
H 0.592602 -2.611277 -1.425070
H -0.908193 -3.434509 -0.866167
H 2.268593 -2.274359 2.420877
H 0.923543 -1.320675 3.132860
H -0.923927 -1.334624 -3.128305
H -2.267911 -2.286875 -2.412486
H 3.328797 -1.320017 0.199234
H -3.326378 -1.320228 -0.192271
H 4.454642 1.764847 3.018009
H -4.460023 1.745515 -3.028726
H 5.309513 -0.774993 -1.225202
H -5.306204 -0.769169 1.231171
H 6.445355 2.366935 1.564087
H -6.450026 2.353601 -1.576307
H 7.634970 -0.522967 -1.704975
H 6.610563 0.660088 -2.615915
H 8.340527 1.039488 -2.269194
H -7.631158 -0.517474 1.712558
H -8.338352 1.047485 2.267728
H -6.607337 0.672952 2.614512


