%chk=000198525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198525

0 1
O 1.600583 0.699877 -2.073900
N 4.319968 0.513245 0.265916
N -0.559042 -0.435074 -0.954529
N 1.772323 -0.479482 -0.122244
N 0.890012 -2.551877 3.081575
C -1.814728 -0.933158 -0.530889
C -1.634693 -1.612490 0.674333
C 0.400285 -0.800849 -0.015241
C -3.039035 -0.705695 -1.340553
C 3.813169 0.538474 -1.136474
C -0.234720 -1.539227 1.010603
C 4.194797 1.867139 0.906130
C 5.717259 -0.025332 0.348321
C 2.308259 0.290896 -1.163597
C -3.443366 0.746342 -1.395962
C -2.665851 -2.303569 1.473809
C 4.213315 1.719280 2.426572
C 5.716223 -1.533306 0.102504
C -3.737062 1.348087 -2.627839
C -3.549077 1.495114 -0.213425
C 0.381420 -2.095289 2.145226
C -4.135220 2.687740 -2.673937
C -3.945940 2.832823 -0.265971
C -4.241031 3.432054 -1.495592
H -2.894660 -1.118491 -2.364417
H -3.882552 -1.298450 -0.914245
H 4.017513 1.488020 -1.683877
H 4.293563 -0.266969 -1.744769
H -0.381675 0.132875 -1.781044
H 3.223250 2.315156 0.596051
H 4.988490 2.571891 0.576737
H 6.415324 0.481529 -0.352124
H 6.097051 0.176196 1.377374
H 2.378686 -0.768517 0.663250
H -2.400895 -2.334198 2.542387
H -3.647885 -1.816802 1.398001
H -2.785526 -3.348543 1.146554
H 3.974077 2.670380 2.915445
H 5.189145 1.387706 2.800261
H 3.475359 0.977906 2.764670
H 6.707005 -1.961191 0.294090
H 5.437896 -1.790234 -0.925595
H 5.004093 -2.043082 0.766822
H -3.656745 0.778440 -3.551038
H -3.311987 1.031169 0.743635
H -4.361938 3.151505 -3.632601
H -4.024959 3.411124 0.653280
H -4.550279 4.474153 -1.533881


%chk=000198525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198525

0 1
O 1.447600 1.134777 -2.027438
N 4.258858 0.536631 0.310516
N -0.573493 -0.286208 -0.779565
N 1.748533 -0.126132 -0.069049
N 1.277969 -2.249491 3.195689
C -1.777277 -0.868724 -0.335843
C -1.511667 -1.552737 0.857831
C 0.443497 -0.579464 0.104446
C -3.045146 -0.729460 -1.137766
C 3.698241 0.981318 -0.991936
C -0.095617 -1.370765 1.146530
C 4.236230 1.630259 1.333783
C 5.577361 -0.155231 0.193819
C 2.189452 0.689820 -1.090227
C -3.447977 0.713082 -1.463903
C -2.471630 -2.347816 1.703771
C 4.290660 1.111942 2.782600
C 5.460005 -1.564024 -0.415732
C -3.885809 1.059404 -2.766146
C -3.422907 1.719183 -0.463781
C 0.640883 -1.854447 2.257773
C -4.296496 2.379232 -3.064762
C -3.833662 3.037362 -0.757532
C -4.273554 3.372759 -2.060060
H -2.964855 -1.298691 -2.086347
H -3.857296 -1.215461 -0.563480
H 3.847414 2.064291 -1.187735
H 4.187748 0.442134 -1.823610
H -0.416408 0.320663 -1.594022
H 3.289991 2.185970 1.191595
H 5.064935 2.356481 1.153902
H 6.297961 0.460480 -0.396019
H 5.995094 -0.244631 1.211366
H 2.520671 -0.374194 0.587435
H -2.355619 -2.103468 2.775465
H -3.520515 -2.148337 1.423737
H -2.299948 -3.436413 1.601329
H 4.190259 1.958320 3.486266
H 5.243518 0.603644 3.013166
H 3.469186 0.399985 2.979098
H 6.457047 -2.037988 -0.471093
H 5.045958 -1.543771 -1.440465
H 4.805584 -2.200256 0.205305
H -3.904045 0.292823 -3.551346
H -3.072673 1.463267 0.543906
H -4.629132 2.630988 -4.078148
H -3.809557 3.803500 0.025850
H -4.589173 4.396693 -2.289374


