%chk=000214980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214980

0 1
O -0.761076 1.006720 1.509811
O 1.272691 1.940979 1.131421
O 2.150172 -2.011112 -0.248874
N 0.858463 -0.331726 0.632107
N 3.143967 0.064182 0.022599
C -1.423857 -0.298691 1.306000
C -0.330156 -1.227588 0.723644
C -2.603933 -0.108794 0.391164
C 0.554159 0.974266 1.083728
C 2.102955 -0.842046 0.094029
C 4.479122 -0.356214 -0.509237
C -2.857304 1.125262 -0.218599
C -3.463192 -1.195711 0.165239
C 5.528097 -0.179506 0.591408
C 4.805632 0.485553 -1.745257
C -3.966048 1.271817 -1.058242
C -4.567686 -1.042966 -0.675417
C -4.820200 0.189885 -1.288592
H -1.739786 -0.584849 2.334355
H -0.110587 -2.097342 1.378629
H -0.589682 -1.630141 -0.281371
H 4.413278 -1.442999 -0.798170
H 3.038283 1.037657 0.330667
H -2.191109 1.970657 -0.029402
H -3.274433 -2.156224 0.641011
H 6.516368 -0.504107 0.245226
H 5.624135 0.863529 0.915004
H 5.281459 -0.773999 1.480383
H 4.042116 0.367185 -2.524784
H 5.765968 0.184889 -2.180286
H 4.873479 1.555733 -1.517344
H -4.162013 2.233208 -1.531881
H -5.234564 -1.885512 -0.853538
H -5.682617 0.305203 -1.943428


%chk=000214980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214980

0 1
O -0.709329 0.677353 1.425445
O 1.474360 1.478217 1.676695
O 2.319215 -1.730770 -1.057507
N 0.957136 -0.388699 0.286071
N 3.304257 -0.044129 0.247855
C -1.333644 -0.568301 0.820015
C -0.269046 -1.047129 -0.209448
C -2.694691 -0.245678 0.251519
C 0.672083 0.659920 1.171666
C 2.248232 -0.772259 -0.231559
C 4.690648 -0.318069 -0.199872
C -2.853425 0.780157 -0.714825
C -3.826999 -0.982542 0.673259
C 5.669963 0.172323 0.884489
C 4.967558 0.331341 -1.576648
C -4.126963 1.058678 -1.252822
C -5.101829 -0.712234 0.126370
C -5.254058 0.309090 -0.838050
H -1.422381 -1.290121 1.652171
H -0.151954 -2.140970 -0.219756
H -0.503359 -0.713523 -1.236062
H 4.777519 -1.415045 -0.312494
H 3.108317 0.739109 0.888896
H -1.986944 1.376477 -1.023847
H -3.713833 -1.767494 1.431372
H 6.709189 -0.044337 0.581808
H 5.583599 1.265957 1.031874
H 5.478947 -0.325665 1.851578
H 4.246425 -0.038615 -2.325461
H 5.986415 0.077805 -1.922673
H 4.885069 1.432195 -1.514687
H -4.244355 1.859452 -1.991050
H -5.971739 -1.290154 0.456540
H -6.242283 0.524857 -1.258858


