%chk=000202093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202093

0 1
O -2.981374 -1.235938 1.168955
O 0.544979 1.306705 0.749831
O 0.034933 0.929744 -1.421682
N 4.124497 0.625897 0.050591
C -0.686134 -1.783768 0.481871
C -1.939523 -0.908708 0.249558
C -0.072525 -1.581277 1.879440
C -1.043830 -3.270195 0.276374
C -1.656634 0.623044 0.356168
C 1.219173 -2.400018 2.020325
C 0.067433 -4.181454 0.703519
C 1.078224 -3.795162 1.488990
C -2.773000 1.411475 -0.290699
C -0.316555 0.963298 -0.266447
C -3.760642 1.988920 0.521254
C -2.848678 1.550802 -1.684589
C 1.933470 1.617333 0.415306
C 2.660886 0.327212 0.011205
C -4.812012 2.703878 -0.059569
C -3.900439 2.268502 -2.258454
C -4.883693 2.846272 -1.448572
C 4.610748 1.140540 -1.272906
C 4.922423 -0.527055 0.559709
C 5.940932 1.872983 -1.093431
C 4.861384 -1.812862 -0.268564
H 0.081096 -1.510740 -0.287253
H -2.414867 -1.139766 -0.735148
H 0.148805 -0.509396 2.059272
H -0.796406 -1.891335 2.657121
H -1.963945 -3.519400 0.851104
H -1.299069 -3.452702 -0.786671
H -1.609597 0.886436 1.449718
H 2.046940 -1.879696 1.476269
H 1.529527 -2.427697 3.083971
H -0.011464 -5.202921 0.333500
H 1.868913 -4.482667 1.784220
H -2.649414 -1.259384 2.091124
H -3.719636 1.872898 1.602592
H -2.077587 1.109282 -2.321797
H 2.300779 2.036603 1.370057
H 1.943985 2.382936 -0.376990
H 2.297042 -0.021390 -0.980778
H 2.401861 -0.487158 0.734714
H -5.578063 3.148546 0.573516
H -3.953197 2.377026 -3.340758
H 3.852432 1.852363 -1.670001
H 4.716498 0.336106 -2.033088
H 4.583548 -0.728892 1.600606
H 5.978974 -0.184026 0.643105
H -5.702730 3.403643 -1.898417
H 6.761730 1.184315 -0.865065
H 5.885113 2.594839 -0.267434
H 6.209332 2.423421 -2.001248
H 5.488519 -2.594634 0.173780
H 5.217906 -1.651907 -1.292757
H 3.843935 -2.212470 -0.338742


%chk=000202093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202093

0 1
O -3.183054 -1.358789 0.616251
O 0.602772 1.410889 0.747506
O 0.099208 0.820536 -1.454665
N 4.267640 0.887480 -0.041451
C -0.767724 -1.964367 0.348090
C -1.907830 -0.971462 -0.010294
C -0.452316 -2.043585 1.865103
C -1.102463 -3.373192 -0.205791
C -1.596871 0.530370 0.330468
C 0.778428 -2.948352 2.122948
C -0.167992 -4.446206 0.318345
C 0.692761 -4.254654 1.352749
C -2.704353 1.461034 -0.175302
C -0.242324 0.922741 -0.251764
C -3.554415 2.110744 0.751837
C -2.914731 1.667505 -1.562602
C 1.992416 1.776272 0.328323
C 2.914531 0.545615 0.445988
C -4.604454 2.945174 0.306808
C -3.961607 2.502899 -2.008621
C -4.812207 3.142979 -1.077016
C 4.414251 0.731105 -1.512678
C 5.374040 0.331790 0.777124
C 5.603337 1.520200 -2.090842
C 5.540693 -1.212647 0.746028
H 0.150078 -1.611708 -0.167207
H -2.119812 -1.043793 -1.092041
H -0.261121 -1.037536 2.284423
H -1.322260 -2.475735 2.402702
H -2.154156 -3.624210 0.046058
H -1.056506 -3.352477 -1.313993
H -1.525334 0.636435 1.428268
H 1.707463 -2.406166 1.839776
H 0.871685 -3.158121 3.207248
H -0.201930 -5.423373 -0.183866
H 1.359917 -5.070079 1.664933
H -3.080955 -1.308652 1.601310
H -3.396821 1.961564 1.827203
H -2.247955 1.188282 -2.288285
H 2.298146 2.569976 1.025609
H 1.964511 2.160002 -0.705607
H 2.455931 -0.306450 -0.109420
H 2.971729 0.247102 1.509115
H -5.256998 3.437703 1.036581
H -4.113509 2.656115 -3.083098
H 3.481909 1.101793 -1.977560
H 4.498104 -0.343828 -1.809449
H 5.209847 0.659122 1.821828
H 6.316894 0.808086 0.451089
H -5.625714 3.789248 -1.425535
H 6.574715 1.132140 -1.734505
H 5.531050 2.584054 -1.803739
H 5.603920 1.451796 -3.194220
H 6.371626 -1.519433 1.408350
H 5.768851 -1.579570 -0.271077
H 4.623963 -1.723966 1.095268


