%chk=000200730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200730

0 1
O 2.779856 0.559871 1.083506
N -0.294612 -2.908956 0.567363
N -4.434488 1.462801 -0.255238
N 3.500829 -0.934984 -0.484132
C -0.176240 -0.456825 0.310585
C -1.120536 -1.662557 0.631002
C 0.499928 -0.631742 -1.061820
C 1.284828 -1.952874 -1.110314
C 0.338991 -3.129336 -0.771480
C -2.420612 -1.710410 -0.236852
C -0.926944 0.849921 0.345388
C -2.302277 0.777478 0.066248
C -3.096358 -0.390120 -0.212970
C 2.481754 -1.949128 -0.129215
C -1.056422 -4.118398 0.995011
C -3.143079 1.924505 0.044511
C -0.397989 2.102867 0.607626
C -4.393782 0.045739 -0.405416
C -2.593299 3.199116 0.306053
C -1.234945 3.253170 0.583198
C 3.522342 0.314143 0.147248
C 4.554282 1.305262 -0.415333
C 3.843039 2.192547 -1.439177
C 5.139009 2.118709 0.738712
H 0.631354 -0.437750 1.098366
H -1.441552 -1.551329 1.702079
H -0.261629 -0.611215 -1.864041
H 1.169915 0.227229 -1.255039
H 1.666973 -2.104384 -2.147889
H -0.405086 -3.247292 -1.588643
H 0.915735 -4.077913 -0.726773
H -3.089107 -2.507965 0.136854
H -2.168516 -1.979408 -1.282867
H 2.967646 -2.946968 -0.104224
H 2.108991 -1.747971 0.909955
H -1.834906 -4.451924 0.293863
H -1.529463 -3.924936 1.971532
H -0.344520 -4.947046 1.143313
H 0.659736 2.213732 0.845982
H -5.283330 -0.508365 -0.632527
H -5.257584 2.021754 -0.335943
H 4.026046 -1.103261 -1.332647
H -3.208607 4.089435 0.294509
H -0.775507 4.218618 0.797238
H 5.387302 0.757441 -0.920784
H 4.525906 2.944530 -1.851490
H 3.441523 1.613321 -2.277220
H 3.003979 2.736451 -0.981782
H 5.720034 1.487763 1.421525
H 4.340824 2.582183 1.339132
H 5.793072 2.918271 0.377317


%chk=000200730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200730

0 1
O 2.857815 0.664160 1.073268
N -0.322316 -2.868556 0.605214
N -4.628473 1.351722 -0.332050
N 3.466163 -0.850444 -0.589982
C -0.281557 -0.413470 0.250238
C -1.173509 -1.646957 0.622115
C 0.434767 -0.646490 -1.111740
C 1.248831 -1.964116 -1.116862
C 0.337972 -3.141918 -0.688895
C -2.492839 -1.774094 -0.240598
C -1.090478 0.875702 0.231518
C -2.472011 0.754680 -0.029283
C -3.223915 -0.453365 -0.246102
C 2.505434 -1.898067 -0.203112
C -0.948005 -4.059788 1.203096
C -3.351378 1.876332 -0.081922
C -0.590433 2.176551 0.439322
C -4.548637 -0.060017 -0.425954
C -2.851633 3.185882 0.113504
C -1.465551 3.306559 0.373295
C 3.579315 0.362712 0.069910
C 4.637134 1.333725 -0.487375
C 3.941509 2.641056 -0.944272
C 5.694816 1.622515 0.607873
H 0.502677 -0.330134 1.025069
H -1.498357 -1.501865 1.672780
H -0.316486 -0.674558 -1.926257
H 1.094784 0.214456 -1.325092
H 1.588665 -2.166611 -2.155853
H -0.394236 -3.347422 -1.512143
H 0.942390 -4.063893 -0.571137
H -3.121516 -2.586264 0.171033
H -2.230166 -2.072794 -1.276246
H 3.022584 -2.877593 -0.228672
H 2.204382 -1.704416 0.838987
H -1.758366 -4.516482 0.582144
H -1.383043 -3.793445 2.183514
H -0.179793 -4.837660 1.371307
H 0.472085 2.321537 0.669378
H -5.443495 -0.651856 -0.612110
H -5.486157 1.891922 -0.416802
H 4.063557 -1.014572 -1.402416
H -3.493950 4.072946 0.078237
H -1.047704 4.306500 0.540390
H 5.141979 0.871180 -1.361124
H 4.689178 3.366559 -1.313261
H 3.209441 2.454992 -1.751495
H 3.403973 3.092320 -0.091763
H 6.234851 0.704983 0.905025
H 5.197644 2.032298 1.504395
H 6.434564 2.359357 0.245204


