%chk=000213632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213632

0 1
O 4.197935 -2.869308 0.660072
O 5.128463 2.365583 -1.968692
O 6.544085 3.001847 -0.173015
N -1.377011 -2.066131 -0.309758
N 2.305058 -1.698123 0.154062
N -6.891967 -0.017822 -1.076995
C 1.410650 -2.886199 0.234496
C 0.717146 -3.129514 -1.119603
C 0.362500 -2.698511 1.347830
C -0.376769 -2.096633 -1.427062
C -0.721416 -1.675177 0.980663
C -2.511782 -1.142480 -0.640752
C -3.737224 -1.527346 0.213460
C -4.913642 -0.702350 -0.158543
C 3.676399 -1.803403 0.374397
C -5.151875 0.663682 0.249859
C -5.978564 -1.089073 -0.958584
C -6.398325 1.068089 -0.339093
C 4.437816 -0.514037 0.255805
C -4.445729 1.580901 1.050102
C -6.934313 2.357943 -0.141792
C 4.311636 0.267845 -0.921016
C 5.279258 -0.148335 1.305129
C -4.974666 2.845641 1.241485
C -6.207739 3.228774 0.649658
C 5.061776 1.419475 -0.953322
C 5.915520 1.804128 0.126980
C 6.044145 1.040888 1.265558
C 6.075080 3.385707 -1.509523
H 2.054740 -3.778225 0.482682
H 1.461392 -3.142657 -1.937670
H 0.263241 -4.142650 -1.098720
H -0.116653 -3.680993 1.542145
H 0.852971 -2.402767 2.294025
H 0.077799 -1.103718 -1.629840
H -0.912492 -2.400229 -2.354146
H -1.504800 -1.671836 1.771797
H -0.291401 -0.651116 0.955191
H -2.773531 -1.260058 -1.715312
H -2.266612 -0.069299 -0.493355
H 1.866757 -0.806749 -0.047484
H -3.948986 -2.610422 0.084472
H -3.509814 -1.403771 1.293063
H -6.155013 -2.031609 -1.444589
H -7.747945 -0.038900 -1.592747
H -3.503417 1.285960 1.505369
H -7.876533 2.646053 -0.594032
H 3.677650 -0.035979 -1.749641
H 5.363714 -0.798663 2.180470
H -4.447005 3.571071 1.856615
H -6.580647 4.236031 0.831831
H 6.698035 1.324464 2.085756
H 6.940307 3.373549 -2.185742
H 5.530001 4.333952 -1.414545


%chk=000213632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213632

0 1
O 4.276220 -2.923961 0.718039
O 4.386364 2.904136 -1.278927
O 6.557084 3.034638 -0.254111
N -1.365214 -2.183538 -0.247702
N 2.299260 -1.792584 0.228351
N -6.906140 0.016584 -1.057262
C 1.439629 -2.991638 0.326701
C 0.735335 -3.295379 -1.020552
C 0.368182 -2.830076 1.433807
C -0.361131 -2.259036 -1.339955
C -0.724427 -1.813602 1.038384
C -2.504971 -1.300210 -0.600793
C -3.764611 -1.556479 0.270212
C -4.929807 -0.687366 -0.135865
C 3.673939 -1.844548 0.409757
C -5.087281 0.736721 0.121978
C -6.057937 -1.084587 -0.853646
C -6.335873 1.150204 -0.467087
C 4.422156 -0.546044 0.236476
C -4.299708 1.702676 0.804866
C -6.804340 2.481005 -0.395375
C 3.891541 0.558532 -0.501140
C 5.712285 -0.463110 0.819506
C -4.761897 3.030643 0.882736
C -6.000073 3.416380 0.286896
C 4.686919 1.699438 -0.593914
C 5.963962 1.777198 0.003063
C 6.508597 0.705453 0.716066
C 5.565086 3.787588 -1.071446
H 2.127682 -3.814993 0.586080
H 1.481185 -3.322676 -1.835969
H 0.264845 -4.294399 -0.950966
H -0.112695 -3.812532 1.597966
H 0.848242 -2.521488 2.380750
H 0.110862 -1.255098 -1.530914
H -0.881919 -2.544317 -2.272409
H -1.493305 -1.783091 1.829912
H -0.285191 -0.777059 0.982822
H -2.773595 -1.498224 -1.655407
H -2.223778 -0.217540 -0.540317
H 1.845919 -0.887991 0.095676
H -4.025118 -2.626903 0.180250
H -3.524257 -1.376396 1.336409
H -6.320792 -2.072123 -1.229511
H -7.799301 -0.009770 -1.543255
H -3.348013 1.419088 1.269243
H -7.755890 2.782224 -0.848096
H 2.928627 0.516858 -1.018497
H 6.083808 -1.345127 1.349379
H -4.165608 3.784976 1.408219
H -6.331788 4.457988 0.363014
H 7.501572 0.767161 1.167570
H 6.014832 4.024625 -2.050688
H 5.248729 4.685265 -0.512923


