%chk=000221225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221225

0 1
O 3.878050 -1.376587 0.515614
N -4.013415 -0.217315 0.008375
N -0.797885 0.747481 -1.774312
N 1.211182 2.418848 -0.670374
C -2.647056 0.385929 -0.087683
C -2.134707 0.150555 -1.528020
C -4.901875 0.556421 0.937728
C -3.934337 -1.664223 0.404034
C 0.314905 0.176018 -1.097238
C 1.383303 1.039796 -0.618365
C -5.316409 1.877436 0.287876
C -5.224446 -2.382941 0.005797
C 2.574789 0.469853 -0.094100
C 0.470097 -1.196900 -0.984409
C 2.673598 -0.962675 -0.022930
C 1.647061 -1.775790 -0.445266
C 3.614206 1.343642 0.346923
C 3.434690 2.702480 0.272222
C 2.197312 3.204096 -0.243278
C 4.116355 -2.802186 0.593099
H -1.926316 -0.025176 0.650231
H -2.695801 1.478685 0.111495
H -2.844179 0.600768 -2.260224
H -2.110462 -0.935939 -1.762156
H -5.813109 -0.054447 1.130527
H -4.431258 0.745426 1.926447
H -3.079129 -2.129575 -0.135363
H -3.736282 -1.804174 1.488654
H -0.819643 1.775147 -1.721743
H -4.471122 2.566597 0.180399
H -5.718177 1.706367 -0.720423
H -6.088414 2.380972 0.877841
H -6.081727 -2.047876 0.600532
H -5.471937 -2.185184 -1.046497
H -5.127811 -3.465502 0.132834
H -0.317208 -1.866120 -1.331256
H 1.708696 -2.858096 -0.388746
H 4.534102 0.900288 0.736543
H 4.202187 3.400876 0.594018
H 2.027236 4.286794 -0.299151
H 5.125030 -2.837489 1.024418
H 4.101601 -3.245702 -0.406849
H 3.387804 -3.272981 1.259278


%chk=000221225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221225

0 1
O 4.105973 -1.456622 0.418707
N -4.186881 -0.252703 0.068402
N -0.773585 1.070771 -1.009656
N 1.526608 2.482201 -0.872548
C -2.868350 0.408452 0.230744
C -2.112212 0.499918 -1.124976
C -5.252051 0.317830 0.935325
C -4.095963 -1.735801 0.149259
C 0.362878 0.374824 -0.634799
C 1.602784 1.133623 -0.573293
C -5.745580 1.693149 0.447234
C -5.218533 -2.454835 -0.623630
C 2.843615 0.489364 -0.214720
C 0.415312 -0.998985 -0.325550
C 2.844262 -0.917430 0.081033
C 1.644344 -1.636043 0.023282
C 4.020225 1.302103 -0.174410
C 3.929289 2.664680 -0.477695
C 2.657089 3.215487 -0.823770
C 4.152770 -2.885141 0.719576
H -2.224976 -0.112578 0.979591
H -3.018352 1.435233 0.609656
H -2.713459 1.122056 -1.811306
H -2.054370 -0.506277 -1.586400
H -6.105926 -0.383929 0.924790
H -4.916849 0.391650 2.001291
H -3.123997 -2.036499 -0.286289
H -4.083322 -2.085155 1.213437
H -0.608388 2.066428 -1.188509
H -4.936335 2.446051 0.451635
H -6.129931 1.612510 -0.584456
H -6.554690 2.069082 1.101201
H -6.218122 -2.215996 -0.217497
H -5.201882 -2.150317 -1.684552
H -5.088178 -3.551819 -0.564928
H -0.497098 -1.602644 -0.348708
H 1.623549 -2.706508 0.249848
H 4.972192 0.836272 0.094890
H 4.812295 3.310876 -0.454289
H 2.558899 4.280134 -1.066666
H 5.206864 -3.101215 0.949165
H 3.828163 -3.490991 -0.149906
H 3.521421 -3.133608 1.595988


