%chk=000212623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212623

0 1
O -3.385080 1.989330 0.413150
N 1.966109 -0.135354 -0.357092
N -1.632470 0.515709 0.274339
N -2.138403 -1.785030 -0.181425
C 4.088050 0.290988 -1.653828
C 4.261530 -0.860959 0.401142
C 4.702194 -1.003315 -1.073782
C 4.482224 1.371175 -0.613098
C 4.595506 0.616671 0.733035
C 2.553508 0.106715 -1.719098
C 2.740088 -1.123693 0.469203
C 0.528087 -0.548961 -0.462098
C -0.225207 0.162513 0.693784
C -0.227529 -0.653480 1.985453
C -2.234387 1.734559 0.715660
C -2.436032 -0.464804 -0.405716
C -1.386514 2.665009 1.562044
C -3.471525 -0.077928 -1.291868
C -1.872849 4.102609 1.433762
C -4.204048 -1.068256 -1.939709
C -2.866062 -2.728851 -0.832124
C -3.906016 -2.418256 -1.717338
H 4.475641 0.532325 -2.661197
H 4.790905 -1.561419 1.073595
H 4.327147 -1.916501 -1.553962
H 5.798028 -1.016084 -1.173673
H 3.725076 2.169336 -0.558505
H 5.435915 1.847545 -0.885137
H 5.607627 0.704139 1.155457
H 3.896336 1.027370 1.478308
H 2.081522 1.038097 -2.101866
H 2.316243 -0.702690 -2.441496
H 2.538761 -2.177352 0.179450
H 2.376336 -1.003205 1.517266
H 0.100285 -0.232021 -1.437018
H 0.377400 -1.648824 -0.409516
H 0.308161 1.144599 0.879658
H -0.733786 -1.622180 1.851909
H 0.803524 -0.861795 2.306914
H -0.741782 -0.136512 2.800344
H -0.306572 2.601001 1.289823
H -1.451855 2.329019 2.619975
H -3.707609 0.978952 -1.442859
H -1.372529 4.758266 2.154411
H -2.958159 4.171621 1.608115
H -1.690334 4.503331 0.428810
H -5.009230 -0.790026 -2.620943
H -2.589852 -3.767489 -0.615239
H -4.467473 -3.203494 -2.213223


%chk=000212623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212623

0 1
O -3.361825 2.196777 -0.125961
N 1.993805 -0.433961 -0.324470
N -1.631005 0.615344 0.081590
N -2.124035 -1.706620 0.205733
C 4.036047 0.864326 -0.951828
C 4.299854 -1.387884 -0.246669
C 4.763430 -0.436739 -1.381556
C 4.383654 0.956437 0.566124
C 4.551399 -0.532942 1.033835
C 2.514084 0.668896 -1.167746
C 2.790272 -1.681688 -0.436616
C 0.533082 -0.637171 -0.429553
C -0.216794 0.333627 0.529732
C -0.131260 -0.123088 2.001690
C -2.162279 1.926205 0.181782
C -2.462007 -0.489020 -0.316780
C -1.226904 3.041466 0.686060
C -3.557870 -0.336984 -1.215224
C -1.982388 4.368633 0.883707
C -4.309502 -1.478044 -1.558119
C -2.860456 -2.797006 -0.144910
C -3.968030 -2.739434 -1.015865
H 4.368870 1.753482 -1.518290
H 4.852326 -2.345310 -0.233339
H 4.471112 -0.787074 -2.389408
H 5.861562 -0.302434 -1.365551
H 3.585503 1.470737 1.130143
H 5.321155 1.526201 0.708476
H 5.570728 -0.715483 1.422568
H 3.832218 -0.789425 1.831394
H 1.976096 1.601099 -0.904449
H 2.323206 0.479310 -2.257312
H 2.647261 -2.186941 -1.427334
H 2.435853 -2.381713 0.343900
H 0.165803 -0.479976 -1.473640
H 0.291224 -1.675361 -0.151952
H 0.313342 1.294448 0.438531
H -0.685463 -1.064560 2.136330
H 0.932110 -0.276071 2.259908
H -0.551495 0.636066 2.687266
H -0.406527 3.185956 -0.046840
H -0.745864 2.735195 1.634313
H -3.811875 0.644206 -1.612123
H -1.284456 5.154696 1.224651
H -2.784315 4.258029 1.632969
H -2.459023 4.695711 -0.054868
H -5.154085 -1.378883 -2.248360
H -2.542228 -3.746754 0.301024
H -4.533409 -3.643880 -1.259166


