%chk=000227538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227538

0 1
N 2.222735 0.348956 -0.000566
N -2.429581 0.644662 -0.192624
N -0.098342 0.520577 -0.101096
N -1.307368 2.675879 -0.047377
N 0.215620 4.591283 0.110829
N 1.597590 4.838237 0.182419
C 1.105927 1.137945 -0.014282
C 1.179437 2.568082 0.057644
C 2.159237 -1.127045 -0.074849
C -0.082879 3.245909 0.034154
C -1.232741 1.306968 -0.110867
C -2.548862 -0.820305 -0.296235
C 3.559425 -1.716973 -0.017840
C -3.999296 -1.249071 -0.127333
C 2.168287 3.603186 0.149058
C 4.294127 -1.949293 -1.208734
C 4.160797 -2.027062 1.229012
C -4.586386 -1.304274 1.163522
C -4.791167 -1.585859 -1.253237
C 5.602847 -2.480606 -1.155900
C 5.469213 -2.558330 1.285987
C -5.936368 -1.687583 1.324672
C -6.142708 -1.971753 -1.096281
C 6.193645 -2.785850 0.092473
C -6.718455 -2.022862 0.193849
H 1.640225 -1.418841 -1.007729
H 1.534157 -1.500852 0.758297
H 3.140024 0.790155 0.061644
H -1.906630 -1.278333 0.479177
H -2.153323 -1.167295 -1.272116
H -3.268209 1.225385 -0.222200
H 3.254622 3.532854 0.192638
H -0.432508 5.375159 0.119075
H 3.835985 -1.718821 -2.178354
H 3.598394 -1.856583 2.155214
H -3.980937 -1.046339 2.040988
H -4.346261 -1.547244 -2.255120
H 6.157674 -2.659852 -2.083547
H 5.920047 -2.797948 2.255416
H -6.376740 -1.729241 2.327233
H -6.742378 -2.232013 -1.975677
H 7.206820 -3.200952 0.134623
H -7.764891 -2.323353 0.318238


%chk=000227538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227538

0 1
N 2.226494 0.794502 -0.676598
N -2.481365 1.091902 -0.680023
N -0.125756 0.961583 -0.675631
N -1.339223 2.949586 0.138883
N 0.187990 4.709787 0.927553
N 1.571038 4.929412 1.056504
C 1.087339 1.519172 -0.405039
C 1.156500 2.838421 0.159135
C 2.229597 -0.551468 -1.270715
C -0.109096 3.470748 0.394132
C -1.268186 1.685329 -0.397907
C -2.654141 -0.230692 -1.284278
C 3.098755 -1.533527 -0.492195
C -3.533511 -1.165060 -0.454701
C 2.144406 3.787488 0.587177
C 4.018522 -2.370209 -1.170423
C 2.980161 -1.644103 0.917467
C -3.399170 -1.229703 0.955620
C -4.477480 -2.007591 -1.091543
C 4.801729 -3.307306 -0.457603
C 3.763281 -2.576434 1.631908
C -4.187835 -2.124885 1.711233
C -5.266187 -2.907258 -0.338083
C 4.676508 -3.412726 0.946188
C -5.123301 -2.968936 1.066892
H 2.571156 -0.505032 -2.324618
H 1.173094 -0.874810 -1.283668
H 3.126834 1.224211 -0.463406
H -1.636774 -0.647978 -1.392867
H -3.078972 -0.137073 -2.304860
H -3.301835 1.656598 -0.454988
H 3.231690 3.717208 0.585510
H -0.461361 5.437034 1.216911
H 4.122705 -2.289174 -2.259924
H 2.271745 -0.997438 1.448618
H -2.678355 -0.571885 1.454888
H -4.597493 -1.959357 -2.181537
H 5.509582 -3.948597 -0.994729
H 3.661129 -2.654537 2.720211
H -4.074142 -2.165651 2.800601
H -5.993458 -3.552235 -0.844242
H 5.284419 -4.136256 1.500714
H -5.736228 -3.662357 1.653630


