%chk=000200978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200978

0 1
O -3.560577 -0.699135 -1.570078
N 0.210452 -1.927711 0.589541
N 4.427800 0.553181 1.183915
N -3.702575 0.554865 0.310101
C 0.757367 -0.628629 -1.495923
C 0.984748 -1.967269 -0.703798
C -0.743225 -0.402276 -1.728549
C -1.480204 -0.399770 -0.381418
C 2.498139 -2.234103 -0.435552
C -1.258341 -1.746375 0.335054
C 1.435455 0.555199 -0.841781
C 2.591756 0.246968 -0.104219
C 3.163919 -1.047448 0.154686
C -2.976912 -0.202340 -0.613233
C 0.404628 -3.169914 1.398211
C 3.382184 1.235818 0.545992
C 1.089980 1.895291 -0.930535
C 4.280882 -0.844740 0.942242
C 3.018693 2.597587 0.447956
C 1.881281 2.889054 -0.288520
C -5.160512 0.763969 0.082578
C -3.102198 1.246283 1.477911
C -6.002344 -0.137240 0.984867
C -2.540276 2.617994 1.102926
H 1.252670 -0.760388 -2.495345
H 0.617395 -2.798980 -1.363007
H -0.916206 0.548935 -2.267138
H -1.162991 -1.189888 -2.388112
H -1.044730 0.417864 0.250662
H 2.987821 -2.488346 -1.399853
H 2.623849 -3.124973 0.211904
H -1.776567 -1.738315 1.318551
H -1.707535 -2.571150 -0.261685
H -0.156905 -3.073933 2.341401
H 1.469741 -3.253826 1.676339
H 0.096313 -4.101040 0.901445
H 0.216257 2.210733 -1.492184
H 4.978313 -1.549064 1.350899
H 5.151698 0.963292 1.735575
H 3.603398 3.371707 0.927758
H 1.567302 3.928357 -0.389928
H -5.406703 1.833647 0.253777
H -5.387074 0.539994 -0.990450
H -3.879011 1.354934 2.268643
H -2.299994 0.609911 1.918516
H -5.779850 -1.197112 0.801206
H -5.823849 0.054085 2.047773
H -7.071301 0.009147 0.793152
H -1.717928 2.538337 0.379155
H -3.303430 3.262386 0.651617
H -2.146101 3.135427 1.985056


%chk=000200978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200978

0 1
O -3.598239 -0.675746 -1.623134
N 0.199477 -1.855432 0.605454
N 4.496440 0.455360 1.144845
N -3.731819 0.594439 0.316889
C 0.751294 -0.648676 -1.517605
C 0.947965 -1.968217 -0.679638
C -0.754488 -0.386014 -1.749662
C -1.505035 -0.324824 -0.401369
C 2.460482 -2.293680 -0.472189
C -1.248835 -1.645783 0.371907
C 1.504912 0.530292 -0.887280
C 2.653160 0.200339 -0.134941
C 3.172744 -1.111971 0.136715
C -3.013476 -0.142725 -0.621488
C 0.434675 -2.960221 1.556233
C 3.482324 1.173838 0.494403
C 1.209403 1.903548 -1.006767
C 4.304388 -0.931808 0.926250
C 3.186158 2.552375 0.373461
C 2.042374 2.888703 -0.385824
C -5.191349 0.761737 0.105611
C -3.151165 1.230310 1.522983
C -6.017881 -0.344811 0.795035
C -2.705484 2.691447 1.289616
H 1.213200 -0.849145 -2.509389
H 0.515939 -2.803868 -1.295525
H -0.907709 0.549262 -2.318770
H -1.195055 -1.194402 -2.361807
H -1.081559 0.499687 0.197229
H 2.876368 -2.508440 -1.478697
H 2.589304 -3.221128 0.112743
H -1.753727 -1.615242 1.356568
H -1.707568 -2.486649 -0.211777
H -0.217213 -2.817640 2.436735
H 1.477033 -2.948101 1.915332
H 0.216636 -3.973425 1.131211
H 0.339893 2.241392 -1.582452
H 4.994327 -1.658105 1.352963
H 5.254081 0.858885 1.690313
H 3.800878 3.331671 0.837152
H 1.782973 3.947248 -0.506527
H -5.481703 1.759857 0.485316
H -5.374870 0.734539 -0.981609
H -3.921935 1.198515 2.316892
H -2.301924 0.631113 1.891751
H -5.762735 -1.328067 0.364734
H -5.825983 -0.376068 1.883886
H -7.099228 -0.170066 0.643808
H -1.886518 2.739973 0.550223
H -3.543606 3.306758 0.915391
H -2.342626 3.139963 2.232903


