%chk=000291876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291876

0 1
O 2.168051 -3.524775 -1.382411
O 5.441723 2.928795 0.492593
O 6.980081 1.353253 -0.018163
N 0.120548 -1.547149 0.673323
N 1.418396 -1.989601 0.231973
C -4.401270 -1.095403 0.362011
C -5.054189 0.200844 -0.137008
C -2.915595 -1.147556 -0.013383
C -6.541028 0.258949 0.238375
C -2.260651 -2.446414 0.485992
C -7.193956 1.555104 -0.260620
C -0.818174 -2.502164 0.123684
C -8.680614 1.614162 0.114727
C -0.200311 -3.324452 -0.769453
C -9.335155 2.910230 -0.384149
C 1.237818 -3.055129 -0.781638
C 0.060067 -1.330690 2.147717
C 2.477406 -1.023965 0.176830
C -10.815078 2.974471 -0.013390
C 3.777171 -1.509619 -0.086341
C 2.264086 0.348078 0.416384
C 4.850920 -0.627366 -0.081724
C 3.350056 1.220255 0.422090
C 4.646526 0.739872 0.183046
C 5.820201 1.635418 0.188788
C 6.483458 3.955233 0.505249
C 6.818193 4.364440 -0.914082
H -4.520600 -1.176891 1.459660
H -4.931552 -1.969388 -0.064604
H -4.941103 0.281691 -1.235876
H -4.525657 1.077788 0.284469
H -2.797382 -1.071186 -1.113434
H -2.384168 -0.268969 0.403316
H -7.071769 -0.615542 -0.185471
H -6.657212 0.178772 1.336414
H -2.788160 -3.323492 0.047441
H -2.394420 -2.547556 1.584281
H -7.080273 1.635575 -1.359087
H -6.664530 2.430974 0.161602
H -9.212470 0.739957 -0.307565
H -8.797396 1.534496 1.212565
H -0.636410 -4.067090 -1.413248
H -9.221843 2.990421 -1.483106
H -8.805900 3.786506 0.038767
H -0.892039 -0.825902 2.383684
H 0.141607 -2.257111 2.739232
H 0.882431 -0.663500 2.466444
H -11.377376 2.140827 -0.449246
H -10.961934 2.936353 1.071951
H -11.273461 3.902365 -0.373606
H 3.933339 -2.570394 -0.308622
H 1.258144 0.735931 0.569347
H 5.864752 -0.989632 -0.282885
H 3.198179 2.287951 0.607555
H 7.359480 3.561259 1.051278
H 5.981975 4.751882 1.083713
H 7.481860 5.236099 -0.935937
H 7.326442 3.548210 -1.450639
H 5.915366 4.612579 -1.486312


%chk=000291876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291876

0 1
O 2.277319 -3.633636 -1.385752
O 5.550883 2.973441 0.449467
O 7.112044 1.244833 0.260350
N 0.141198 -1.571287 0.599016
N 1.439992 -1.966125 0.135168
C -4.433373 -1.084643 0.298168
C -5.140446 0.209085 -0.164431
C -2.934560 -1.120567 -0.071987
C -6.637365 0.254370 0.216979
C -2.240501 -2.426392 0.407557
C -7.345354 1.550373 -0.238163
C -0.777457 -2.499940 0.058163
C -8.840224 1.599782 0.150559
C -0.122303 -3.385306 -0.776343
C -9.547396 2.898126 -0.300831
C 1.309843 -3.105816 -0.767989
C 0.056556 -1.173507 2.026289
C 2.528492 -1.055423 0.178350
C -11.039532 2.941195 0.093963
C 3.855351 -1.562096 0.106677
C 2.306531 0.347255 0.270904
C 4.938489 -0.668776 0.145889
C 3.399509 1.229223 0.321296
C 4.727056 0.730493 0.265678
C 5.914226 1.624566 0.317638
C 6.673729 3.957407 0.477114
C 7.085657 4.353329 -0.944034
H -4.544124 -1.189429 1.398352
H -4.944859 -1.961914 -0.149895
H -5.039197 0.310030 -1.264987
H -4.623735 1.087211 0.276590
H -2.814415 -1.031807 -1.169335
H -2.421525 -0.241315 0.367001
H -7.156194 -0.620997 -0.226815
H -6.738086 0.149485 1.317751
H -2.740788 -3.295325 -0.056250
H -2.387756 -2.532258 1.502425
H -7.250106 1.653567 -1.339463
H -6.823689 2.426332 0.201628
H -9.364742 0.726553 -0.291132
H -8.936983 1.495079 1.251729
H -0.575268 -4.170441 -1.375881
H -9.451817 3.000991 -1.401205
H -9.021646 3.770267 0.139016
H -0.952778 -0.778061 2.218730
H 0.255145 -2.029748 2.700376
H 0.787201 -0.378018 2.235444
H -11.593962 2.097554 -0.359118
H -11.161203 2.870336 1.191456
H -11.520501 3.879112 -0.239551
H 4.014044 -2.637236 0.004700
H 1.282639 0.734052 0.258207
H 5.967243 -1.039419 0.093766
H 3.238665 2.308588 0.387031
H 7.519719 3.509947 1.027926
H 6.259161 4.809059 1.040515
H 7.859352 5.142632 -0.901980
H 7.505487 3.488245 -1.483746
H 6.222950 4.744769 -1.510482


