%chk=000235032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235032

0 1
O -0.003719 -0.731888 0.000137
N 1.178660 1.270806 0.000177
N -1.185149 1.271356 0.000124
C 6.650924 -0.592240 0.000077
C -6.658325 -0.589093 -0.000268
C 5.185668 -0.152566 0.000013
C -5.192799 -0.150112 -0.000077
C 7.335242 -0.034510 1.265366
C 7.336508 -0.031519 -1.263208
C 6.804669 -2.125191 -0.001746
C -7.342119 -0.031269 -1.265757
C -7.343727 -0.027810 1.262825
C -6.812768 -2.121950 0.001813
C 4.884444 1.221639 0.000078
C -4.890963 1.223947 -0.000460
C 4.120677 -1.062493 0.000084
C -4.128279 -1.060561 0.000280
C 2.512003 0.742601 0.000141
C -2.518745 0.743775 0.000022
C 3.568769 1.677934 0.000127
C -3.575061 1.679606 -0.000406
C 2.792234 -0.630826 0.000131
C -2.799630 -0.629515 0.000349
C -0.003428 0.484507 0.000172
H 8.377838 -0.361038 1.330261
H 7.335329 1.059358 1.283287
H 6.823905 -0.375915 2.172151
H 7.337122 1.062392 -1.278303
H 8.379020 -0.358325 -1.328092
H 6.825771 -0.370373 -2.171286
H 7.861418 -2.413779 -0.001843
H 6.348178 -2.579075 0.884227
H 6.348580 -2.576880 -0.889049
H -7.342195 1.062602 -1.283649
H -8.384741 -0.357699 -1.331097
H -6.830506 -0.372678 -2.172393
H -7.344313 1.066109 1.277495
H -8.386290 -0.354475 1.327982
H -6.832974 -0.366350 2.171018
H -7.869661 -2.410103 0.001804
H -6.357069 -2.573703 0.889282
H -6.356401 -2.576221 -0.884024
H 5.694212 1.952294 0.000085
H -5.700360 1.954993 -0.000806
H 4.307504 -2.137155 0.000123
H -4.315603 -2.135123 0.000498
H 3.370630 2.745870 0.000159
H -3.376417 2.747451 -0.000701
H 1.980586 -1.366398 0.000167
H -1.988332 -1.365476 0.000639
H 1.110132 2.288174 0.000222
H -1.116152 2.288697 0.000048


%chk=000235032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235032

0 1
O -0.003776 -1.036388 0.000616
N 1.162523 1.015397 0.000624
N -1.169125 1.015940 0.000370
C 6.806732 -0.500816 0.000002
C -6.814049 -0.497606 -0.000451
C 5.299597 -0.151229 0.000103
C -5.306747 -0.148739 -0.000138
C 7.478553 0.101732 1.271185
C 7.478823 0.103057 -1.270398
C 7.054939 -2.030872 -0.000802
C -7.485147 0.104900 -1.272037
C -7.486292 0.106943 1.269548
C -7.062990 -2.027544 0.000700
C 4.886587 1.209818 0.000350
C -4.893096 1.212112 -0.000619
C 4.273643 -1.128517 0.000070
C -4.281256 -1.126510 0.000483
C 2.515088 0.570866 0.000479
C -2.521898 0.572044 0.000189
C 3.527864 1.568812 0.000527
C -3.534205 1.570468 -0.000458
C 2.901468 -0.792438 0.000256
C -2.908922 -0.791076 0.000652
C -0.003484 0.228712 0.000706
H 8.562039 -0.123166 1.275762
H 7.360412 1.199534 1.313618
H 7.031643 -0.322043 2.189105
H 7.360719 1.200903 -1.311751
H 8.562313 -0.121820 -1.274936
H 7.032147 -0.319770 -2.188867
H 8.142255 -2.231031 -0.000920
H 6.625561 -2.515456 0.895526
H 6.625510 -2.514501 -0.897621
H -7.366485 1.202634 -1.314732
H -8.568734 -0.119503 -1.276936
H -7.038108 -0.319335 -2.189682
H -7.367725 1.204749 1.310613
H -8.569881 -0.117461 1.273797
H -7.040104 -0.315803 2.188291
H -8.150403 -2.227169 0.000570
H -6.634041 -2.511137 0.897769
H -6.633597 -2.512583 -0.895375
H 5.636776 2.009279 0.000382
H -5.642913 2.011923 -0.001118
H 4.533825 -2.191365 -0.000127
H -4.541948 -2.189234 0.000875
H 3.248205 2.631603 0.000696
H -3.254043 2.633127 -0.000837
H 2.133224 -1.567215 0.000245
H -2.141049 -1.566222 0.001105
H 1.052278 2.031653 0.000679
H -1.058409 2.032145 0.000110


