%chk=000200301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200301

0 1
O 3.398916 -0.622274 -0.419356
O 2.643029 0.523998 -2.250238
N -3.453053 -0.590897 -1.145061
C -1.501267 0.136663 0.192240
C -1.948151 -0.622528 -1.120753
C -2.691055 -0.107566 1.158977
C -3.887019 -0.552620 0.290580
C -1.375511 1.652095 -0.117718
C -0.157201 -0.369724 0.690397
C -1.520855 -2.093174 -1.134897
C -0.950634 2.486864 1.097179
C -3.980452 0.568084 -1.922339
C 0.966299 -0.232769 -0.149689
C 0.007385 -0.951434 1.954620
C -0.908667 3.977138 0.768005
C 2.201878 -0.679595 0.306603
C 1.264195 -1.393052 2.387846
C 2.384705 -1.263786 1.571807
C 3.542142 -0.017441 -1.664274
C 4.966213 -0.188176 -2.063468
H -1.526969 -0.118832 -2.022015
H -2.928848 0.800852 1.737516
H -2.452356 -0.887430 1.904996
H -4.197960 -1.587361 0.550387
H -4.769002 0.093978 0.446346
H -2.348810 2.022916 -0.506358
H -0.649270 1.806694 -0.940101
H -0.444646 -2.198607 -1.304579
H -1.766070 -2.599153 -0.194434
H -2.044556 -2.635319 -1.933646
H 0.046034 2.153508 1.451469
H -1.645987 2.307558 1.941564
H -5.081055 0.533441 -1.914623
H -3.662610 0.466534 -2.972301
H -3.656499 1.556511 -1.551044
H 0.865290 0.220167 -1.139074
H -0.852995 -1.070239 2.614620
H -0.594190 4.564762 1.637817
H -0.201663 4.190449 -0.042447
H -1.889129 4.352245 0.454992
H 1.365874 -1.842605 3.375761
H 3.369659 -1.597468 1.884137
H 5.447707 0.791279 -2.215955
H 5.040185 -0.740522 -3.014233
H 5.555472 -0.737563 -1.310058


%chk=000200301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200301

0 1
O 3.494387 -0.650099 -0.416445
O 2.708221 0.447302 -2.349896
N -3.467860 -0.503016 -0.985816
C -1.476752 0.129716 0.272793
C -1.971562 -0.520088 -1.089605
C -2.670294 -0.211465 1.217619
C -3.903487 0.020109 0.325696
C -1.376185 1.682959 0.045982
C -0.115778 -0.387690 0.759554
C -1.485877 -1.958595 -1.372292
C -1.072819 2.534393 1.299184
C -4.214025 -0.040893 -2.158320
C 1.013360 -0.263915 -0.098471
C 0.068255 -0.944583 2.048658
C -0.874962 4.025660 0.947548
C 2.278520 -0.699637 0.345627
C 1.345622 -1.376514 2.478197
C 2.462097 -1.259580 1.630158
C 3.631934 -0.086918 -1.699566
C 5.066296 -0.226046 -2.164280
H -1.642537 0.134061 -1.929453
H -2.691541 0.396299 2.137998
H -2.629428 -1.277583 1.509276
H -4.796684 -0.521910 0.693345
H -4.168801 1.107022 0.293057
H -2.318216 2.038734 -0.416991
H -0.581035 1.868653 -0.703985
H -0.406927 -1.999872 -1.604407
H -1.685700 -2.616811 -0.507794
H -2.043482 -2.363733 -2.236403
H -0.162686 2.147346 1.797036
H -1.897673 2.442616 2.033255
H -5.290154 -0.263918 -2.031885
H -3.870643 -0.574129 -3.063302
H -4.115588 1.059059 -2.350584
H 0.907902 0.164701 -1.095949
H -0.781416 -1.041056 2.730672
H -0.675619 4.630581 1.851175
H -0.021400 4.158862 0.256451
H -1.773677 4.441793 0.453488
H 1.470050 -1.803530 3.479297
H 3.460474 -1.586213 1.935054
H 5.488029 0.778205 -2.345371
H 5.085569 -0.766779 -3.126413
H 5.680597 -0.757898 -1.424694


