%chk=000253408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253408

0 1
O 1.448189 -3.281726 0.559562
N -0.463430 0.623783 0.175087
N 1.991800 -1.439503 -0.483876
N -0.096083 2.888857 0.261608
N 3.212028 0.593587 -0.690839
N 2.321128 2.832982 -0.331659
N 1.386085 -2.087925 0.534169
C 0.896255 0.805589 -0.112678
C -1.193282 -0.661837 0.219752
C 2.026953 0.004128 -0.418907
C 1.105403 2.259019 -0.064580
C -2.685230 -0.450265 0.149863
C -1.008868 1.900271 0.399048
C 2.850109 -2.132158 -1.509092
C -3.297563 -0.169932 -1.080697
C -3.462086 -0.550725 1.312365
C 3.308072 1.976178 -0.641824
C 4.213143 -2.503471 -0.941330
C -4.681921 0.007130 -1.145026
C -4.847140 -0.374921 1.241304
C -5.457824 -0.095713 0.014666
H -0.906554 -1.206298 1.157081
H -0.857082 -1.304819 -0.631182
H -2.055561 2.057453 0.649161
H 2.299740 -3.043858 -1.838159
H 2.961233 -1.464464 -2.391861
H -2.696334 -0.087517 -1.985781
H -2.992461 -0.768103 2.271504
H 4.304673 2.389119 -0.874586
H 4.760284 -1.611453 -0.598289
H 4.130831 -3.187631 -0.087070
H 4.833586 -2.994746 -1.700143
H -5.157474 0.225382 -2.101080
H -5.450998 -0.456039 2.144967
H -6.537519 0.041325 -0.038276


%chk=000253408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253408

0 1
O 1.366270 -3.439045 0.089053
N -0.467295 0.533908 0.096217
N 2.101146 -1.455179 -0.684059
N -0.080199 2.796523 0.334261
N 3.184099 0.609327 -0.936216
N 2.269497 2.800792 -0.381321
N 1.218582 -2.166550 0.137755
C 0.891100 0.730230 -0.215087
C -1.287030 -0.719627 0.036706
C 2.028251 -0.032474 -0.609187
C 1.097506 2.166212 -0.084591
C -2.780589 -0.442397 0.092785
C -0.974721 1.799405 0.421332
C 3.177605 -2.144781 -1.447465
C -3.487947 -0.037115 -1.068094
C -3.489807 -0.604456 1.308866
C 3.247667 1.973257 -0.823839
C 4.404692 -2.474087 -0.572521
C -4.877602 0.206723 -1.012852
C -4.881446 -0.362739 1.367351
C -5.577544 0.044986 0.206398
H -0.974192 -1.377597 0.861771
H -1.029826 -1.235628 -0.904152
H -2.015214 1.933177 0.704079
H 2.727552 -3.071065 -1.847013
H 3.460916 -1.474111 -2.272182
H -2.949031 0.087209 -2.015554
H -2.952122 -0.924761 2.209535
H 4.196687 2.433097 -1.112336
H 4.850111 -1.546308 -0.178478
H 4.132768 -3.137842 0.265230
H 5.161214 -2.991860 -1.188859
H -5.413733 0.517767 -1.915951
H -5.419075 -0.494715 2.312430
H -6.656188 0.231423 0.249193


