%chk=000216806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216806

0 1
O -3.323398 -0.974477 2.236553
O -1.865379 0.766012 -1.948852
N 1.727848 -2.228697 0.042055
N 4.126579 -0.656806 -0.355970
C -3.112481 -0.340629 -0.133926
C 1.831446 -1.254627 -1.092964
C 3.083965 -2.799410 0.334873
C 2.775426 -0.105637 -0.688966
C 4.028064 -1.654352 0.754744
C -3.004242 -1.778402 -0.694078
C -2.755872 -0.345831 1.383800
C -2.011759 0.556540 -0.773608
C -4.506820 0.190821 -0.393468
C -1.580359 0.557756 1.574882
C -1.156275 1.083139 0.333085
C 0.755885 -3.335555 -0.269065
C 5.216904 0.258086 -0.323930
C -0.926032 0.887898 2.750733
C -0.078468 1.950385 0.255008
C -4.798275 0.864289 -1.590134
C -5.535916 -0.031822 0.534731
C -1.684149 -2.332471 -0.541257
C -0.576395 -2.795709 -0.421955
C 0.170890 1.768713 2.674158
C 0.586141 2.291607 1.449216
C 5.182284 1.439677 -1.102680
C 6.401015 -0.052338 0.385957
C -6.090028 1.335496 -1.837145
C -6.826277 0.441119 0.283464
C -7.106935 1.130159 -0.900049
C 6.299637 2.268964 -1.168340
C 7.507256 0.791196 0.306629
C 7.466786 1.957017 -0.464080
H 0.818415 -0.837588 -1.292402
H 2.186084 -1.723050 -2.036781
H 3.521477 -3.349523 -0.527071
H 2.990863 -3.517704 1.177602
H 2.865923 0.605046 -1.542012
H 2.341464 0.453737 0.171151
H 3.657097 -1.183832 1.693200
H 5.037591 -2.074721 0.966024
H -3.295029 -1.768659 -1.773461
H -3.757231 -2.424023 -0.178069
H 0.767635 -4.047529 0.596642
H 1.032939 -3.926530 -1.177426
H -1.250040 0.474223 3.706654
H 0.243107 2.357833 -0.703733
H -4.020130 1.019887 -2.343138
H -5.339701 -0.582985 1.459321
H 0.700792 2.040609 3.588125
H 1.436667 2.973786 1.410889
H 4.290534 1.695841 -1.670994
H 6.461898 -0.958494 0.984540
H -6.303057 1.862543 -2.766307
H -7.615463 0.268149 1.014095
H -8.111850 1.500517 -1.092745
H 6.261009 3.172376 -1.776920
H 8.414371 0.537130 0.854930
H 8.331871 2.610150 -0.518034


%chk=000216806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216806

0 1
O -3.356980 -1.148213 2.265821
O -1.767160 0.802994 -1.867476
N 1.816316 -2.260824 -0.046108
N 4.209420 -0.671226 -0.387006
C -3.134112 -0.334269 -0.097204
C 1.947094 -1.339812 -1.201214
C 3.144908 -2.811235 0.304143
C 2.884519 -0.179531 -0.837146
C 4.116790 -1.680544 0.686027
C -3.026422 -1.767113 -0.736610
C -2.815166 -0.382003 1.427854
C -2.020330 0.601968 -0.650524
C -4.555660 0.221989 -0.367643
C -1.740935 0.609527 1.713548
C -1.278363 1.182752 0.502615
C 0.815739 -3.340324 -0.270388
C 5.332626 0.193803 -0.429617
C -1.178380 0.972626 2.954517
C -0.237781 2.134748 0.496644
C -4.825260 0.998477 -1.524812
C -5.630936 -0.120075 0.494432
C -1.690503 -2.366491 -0.583998
C -0.550141 -2.813976 -0.441864
C -0.140801 1.932102 2.954567
C 0.325163 2.507060 1.738193
C 5.505844 1.123089 -1.502873
C 6.353419 0.147046 0.570139
C -6.139564 1.436574 -1.802282
C -6.942886 0.320037 0.212270
C -7.204203 1.102304 -0.935414
C 6.643997 1.949540 -1.571583
C 7.493701 0.974055 0.484321
C 7.654645 1.885144 -0.582526
H 0.950036 -0.937968 -1.453274
H 2.347063 -1.873082 -2.101468
H 3.585782 -3.395450 -0.544823
H 3.037848 -3.492036 1.169549
H 3.003234 0.469319 -1.718071
H 2.404322 0.421127 -0.030537
H 3.780219 -1.222685 1.645247
H 5.112744 -2.128323 0.846706
H -3.288430 -1.672814 -1.807130
H -3.793946 -2.401844 -0.254824
H 0.841091 -4.009105 0.612418
H 1.077207 -3.970755 -1.160719
H -1.539302 0.515567 3.881108
H 0.113487 2.566848 -0.445851
H -4.013679 1.253729 -2.212993
H -5.441929 -0.729210 1.384238
H 0.318468 2.238404 3.900709
H 1.134003 3.245090 1.770272
H 4.766055 1.181430 -2.307343
H 6.255220 -0.518649 1.432121
H -6.329405 2.036836 -2.699257
H -7.760119 0.048657 0.890048
H -8.222582 1.443417 -1.152600
H 6.746993 2.642419 -2.415170
H 8.256117 0.910751 1.269952
H 8.539205 2.527430 -0.643613


