%chk=000198459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198459

0 1
O -4.677402 -1.350847 -1.115378
N 1.872286 0.390543 0.159077
C -0.774480 1.496598 -0.436390
C 0.057691 1.981420 0.788469
C 0.952015 0.804430 1.262859
C 0.187237 1.038734 -1.560551
C 4.053970 -0.633168 -0.329199
C 1.153496 -0.053176 -1.077746
C 2.859630 -0.644310 0.610732
C 0.036314 -0.307494 1.831671
C -1.621120 0.289543 -0.022474
C 5.158397 -1.659482 -0.131323
C 4.250317 -1.750291 -1.342614
C -1.214491 -0.556610 1.035677
C -1.672145 2.637785 -0.941819
C 0.906685 3.222948 0.511006
C -2.787485 -0.015251 -0.729971
C -1.993991 -1.670708 1.380167
C -3.543002 -1.137424 -0.361714
C -3.169191 -1.978846 0.691585
H -0.656858 2.228300 1.612518
H 1.611503 1.169095 2.094753
H 0.763914 1.912591 -1.921461
H -0.387683 0.664462 -2.427048
H 4.338858 0.385881 -0.627848
H 0.603282 -1.008691 -0.931095
H 1.921179 -0.239581 -1.861455
H 3.215132 -0.375628 1.631691
H 2.420723 -1.662970 0.685135
H -0.252613 -0.031040 2.867880
H 0.610137 -1.250701 1.928911
H 5.074086 -2.403816 0.655768
H 6.195187 -1.358752 -0.259186
H 4.644995 -1.514273 -2.327534
H 3.526123 -2.558019 -1.407273
H -1.085021 3.535101 -1.171680
H -2.210597 2.362011 -1.855422
H -2.419801 2.917139 -0.190880
H 1.710559 3.000975 -0.206000
H 0.307996 4.043015 0.101171
H 1.386927 3.585059 1.425846
H -3.128385 0.596453 -1.564017
H -1.681093 -2.315904 2.201261
H -3.764035 -2.841284 0.967074
H -5.173242 -2.149418 -0.816373


%chk=000198459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198459

0 1
O -4.799431 -1.368577 -1.121283
N 1.865310 0.360594 0.180973
C -0.784255 1.486993 -0.450425
C 0.059230 1.976411 0.783648
C 0.943421 0.795296 1.269490
C 0.203122 0.993722 -1.561244
C 4.132198 -0.589001 -0.313774
C 1.179052 -0.084509 -1.056370
C 2.934329 -0.557660 0.630623
C 0.024219 -0.314064 1.859095
C -1.658150 0.285085 -0.012598
C 5.170140 -1.711823 -0.168215
C 4.255580 -1.669639 -1.402285
C -1.243266 -0.573151 1.051224
C -1.646145 2.642806 -1.015185
C 0.918930 3.236662 0.544971
C -2.850551 -0.027342 -0.710529
C -2.041393 -1.694350 1.384604
C -3.628416 -1.150338 -0.364302
C -3.231205 -1.998850 0.694015
H -0.657414 2.203725 1.601896
H 1.594695 1.161382 2.088897
H 0.780662 1.861629 -1.932891
H -0.377236 0.591122 -2.413875
H 4.513588 0.407038 -0.566936
H 0.633943 -1.049708 -0.903959
H 1.948690 -0.269832 -1.825849
H 3.273451 -0.206995 1.626336
H 2.570312 -1.611687 0.767622
H -0.262024 -0.007585 2.887220
H 0.595608 -1.256827 1.974753
H 4.977889 -2.488226 0.580181
H 6.227649 -1.463278 -0.294471
H 4.695734 -1.394767 -2.365449
H 3.456848 -2.416296 -1.466330
H -1.006030 3.486126 -1.325978
H -2.214996 2.333070 -1.909537
H -2.366870 3.012215 -0.262241
H 1.695321 3.054284 -0.217259
H 0.314936 4.109726 0.242849
H 1.440714 3.508653 1.482342
H -3.208187 0.592066 -1.537005
H -1.719050 -2.348782 2.204440
H -3.830843 -2.875796 0.970790
H -5.274105 -2.175124 -0.801179


